Attribute Details

Structure Attributes

Entry ID(s)

Attribute	rcsb_entry_container_identifiers.entry_id
Description	Entry identifier for the container.
Type	string
Examples	4HHB AF_AFP60325F1 MA_MABAKCEPC0019
Iterable	true

PDB Deposit Group ID(s)

Attribute	pdbx_deposit_group.group_id
Description	A unique identifier for a group of entries deposited as a collection.
Type	string
Examples	G_1002119 G_1002043
Iterable	true

Assembly ID(s)

Attribute	rcsb_assembly_container_identifiers.assembly_id
Description	Assembly identifier for the container.
Type	string
Examples	1 5

PubMed ID

Attribute	rcsb_pubmed_container_identifiers.pubmed_id
Description	UID assigned to each PubMed record.
Type	integer
Minimum Value	5
Maximum Value	38773107
Examples	15937111
Iterable	true

EMDB ID(s) for Maps Used in Structure Modeling

Attribute	rcsb_entry_container_identifiers.emdb_ids
Description	List of EMDB identifiers for the 3D electron microscopy density maps used in the production of the structure model.
Type	string
Examples	EMD-21578 EMD-30168
Iterable	true

EMDB ID(s) for Related Maps

Attribute	rcsb_entry_container_identifiers.related_emdb_ids
Description	List of EMDB identifiers for the 3D electron microscopy density maps related to the structure model.
Type	string
Examples	EMD-21578 EMD-30168
Iterable	true

Accession Code(s) - UniProt

Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession
Description	Reference database accession code
Type	string
Nested Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name
Nested Attribute Examples	P01308 P0CX43

Accession Code(s) - GenBank

Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession
Description	Reference database accession code
Type	string
Nested Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name
Nested Attribute Examples	12057205 1329886537

Accession Code(s) - NORINE

Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession
Description	Reference database accession code
Type	string
Nested Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name
Nested Attribute Examples	NOR00033 NOR00972

Structure Keywords

Attribute	struct_keywords.pdbx_keywords
Description	Terms characterizing the macromolecular structure.
Type	string
Examples	DNA RNA T-RNA DNA/RNA RIBOZYME PROTEIN/DNA PROTEIN/RNA PEPTIDE NUCLEIC ACID PEPTIDE NUCLEIC ACID/DNA DNA-BINDING PROTEIN RNA-BINDING PROTEIN

UniProt Molecule Name

Attribute	rcsb_uniprot_protein.name.value
Description	Name that allows to unambiguously identify a protein.
Type	string
Examples	Hemoglobin alpha

Additional Structure Keywords

Attribute	struct_keywords.text
Description	Keywords describing this structure.
Type	string
Examples	Inhibitor, Complex, Isomerase... serine protease inhibited complex high-resolution refinement

Entry Group ID(s)

Attribute	rcsb_entry_group_membership.group_id
Description	A unique identifier for a group of entries
Type	string
Examples	G_1001001

Polymer Entity Group ID(s)

Attribute	rcsb_polymer_entity_group_membership.group_id
Description	A unique identifier for a group of entities
Type	string
Examples	1_100 P00003

Structure Title

Attribute	struct.title
Description	A title for the data block. The author should attempt to convey the essence of the structure archived in the CIF in the title, and to distinguish this structural result from others.
Type	string
Examples	T4 lysozyme mutant - S32A Rhinovirus 16 polymerase elongation complex (r1_form) Crystal structure of the OXA-10 W154A mutant at pH 9.0 Mutant structure of Thermus thermophilus HB8 uridine-cytidine kinase Crystal structure of xylanase from Trichoderma longibrachiatum

Structure Author

Attribute	audit_author.name
Description	The name of an author of this data block. If there are multiple authors, _audit_author.name is looped with _audit_author.address. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
Type	string
Examples	Jones, T.J. Bleary, Percival R. O'Neil, F.K. Van den Bossche, G. Yang, D.-L. Simonov, Yu.A

Structure Author ORCID

Attribute	audit_author.identifier_ORCID
Description	The Open Researcher and Contributor ID (ORCID).
Type	string
Examples	0000-0002-6681-547X

Deposit Date

Attribute	rcsb_accession_info.deposit_date
Description	The entry deposition date.
Type	string
Minimum Value	1972-08-11
Maximum Value	2024-05-19
Examples	2020-07-11 2013-10-01

Release Date

Attribute	rcsb_accession_info.initial_release_date
Description	The entry initial release date.
Type	string
Minimum Value	1976-05-19
Maximum Value	2024-05-29
Examples	2020-01-10 2018-01-23

Revision Date

Attribute	rcsb_accession_info.revision_date
Description	The latest entry revision date.
Type	string
Minimum Value	2001-08-02
Maximum Value	2024-05-29
Examples	2020-02-11 2018-10-23

Structural Genomics Project Name

Attribute	pdbx_SG_project.project_name
Description	The value identifies the Structural Genomics project.
Type	string
Enumeration	Enzyme Function Initiative NIAID, National Institute of Allergy and Infectious Diseases NPPSFA, National Project on Protein Structural and Functional Analyses PSI, Protein Structure Initiative PSI:Biology
Examples	PSI, Protein Structure Initiative

Structural Genomics Project Center Initials

Attribute	pdbx_SG_project.initial_of_center
Description	The value identifies the full name of center.
Type	string
Enumeration	ATCG3D BIGS BSGC BSGI CEBS CELLMAT CESG CHSAM CHTSB CSBID CSGID CSMP GPCR IFN ISFI ISPC JCSG MCMR MCSG MPID MPP MPSBC MPSbyNMR MSGP MSGPP MTBI NESG NHRs NPCXstals NYCOMPS NYSGRC NYSGXRC NatPro OCSP OPPF PCSEP PSF RSGI S2F SASTAD SECSG SGC SGCGES SGPP SPINE SPINE-2 SSGCID SSPF STEMCELL TBSGC TCELL TEMIMPS TJMP TMPC TransportPDB UC4CDI XMTB YSG
Examples	JCSG

Structural Genomics Project Center Name

Attribute	pdbx_SG_project.full_name_of_center
Description	The value identifies the full name of center.
Type	string
Enumeration	Accelerated Technologies Center for Gene to 3D Structure Assembly, Dynamics and Evolution of Cell-Cell and Cell-Matrix Adhesions Atoms-to-Animals: The Immune Function Network Bacterial targets at IGS-CNRS, France Berkeley Structural Genomics Center Center for Eukaryotic Structural Genomics Center for High-Throughput Structural Biology Center for Membrane Proteins of Infectious Diseases Center for Structural Biology of Infectious Diseases Center for Structural Genomics of Infectious Diseases Center for Structures of Membrane Proteins Center for the X-ray Structure Determination of Human Transporters Chaperone-Enabled Studies of Epigenetic Regulation Enzymes Enzyme Discovery for Natural Product Biosynthesis GPCR Network Integrated Center for Structure and Function Innovation Israel Structural Proteomics Center Joint Center for Structural Genomics Marseilles Structural Genomics Program @ AFMB Medical Structural Genomics of Pathogenic Protozoa Membrane Protein Structural Biology Consortium Membrane Protein Structures by Solution NMR Midwest Center for Macromolecular Research Midwest Center for Structural Genomics Mitochondrial Protein Partnership Montreal-Kingston Bacterial Structural Genomics Initiative Mycobacterium Tuberculosis Structural Proteomics Project New York Consortium on Membrane Protein Structure New York SGX Research Center for Structural Genomics New York Structural GenomiX Research Consortium New York Structural Genomics Research Consortium Northeast Structural Genomics Consortium Nucleocytoplasmic Transport: a Target for Cellular Control Ontario Centre for Structural Proteomics Oxford Protein Production Facility Paris-Sud Yeast Structural Genomics Partnership for Nuclear Receptor Signaling Code Biology Partnership for Stem Cell Biology Partnership for T-Cell Biology Program for the Characterization of Secreted Effector Proteins Protein Structure Factory RIKEN Structural Genomics/Proteomics Initiative Scottish Structural Proteomics Facility Seattle Structural Genomics Center for Infectious Disease South Africa Structural Targets Annotation Database Southeast Collaboratory for Structural Genomics Structural Genomics Consortium Structural Genomics Consortium for Research on Gene Expression Structural Genomics of Pathogenic Protozoa Consortium Structural Proteomics in Europe Structural Proteomics in Europe 2 Structure 2 Function Project Structure, Dynamics and Activation Mechanisms of Chemokine Receptors Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes Structure-Function Studies of Tight Junction Membrane Proteins Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors TB Structural Genomics Consortium Transcontinental EM Initiative for Membrane Protein Structure Transmembrane Protein Center
Examples	Midwest Center for Structural Genomics

Has Experimental Data

Attribute	rcsb_accession_info.has_released_experimental_data
Description	A code indicating the current availibility of experimental data in the repository.
Type	string
Enumeration	N Y
Examples	Y N

Compatible with PDB Format

Attribute	pdbx_database_status.pdb_format_compatible
Description	A flag indicating that the entry is compatible with the PDB format. A value of 'N' indicates that the no PDB format data file is corresponding to this entry is available in the PDB archive.
Type	string
Enumeration	N Y
Examples	Y

Funding Organization

Attribute	pdbx_audit_support.funding_organization
Description	The name of the organization providing funding support for the entry. Funding information is optionally provided for entries after June 2016.
Type	string
Examples	National Institutes of Health Wellcome Trust National Institutes of Health/National Institute of General Medical Sciences

Funding Grant Number

Attribute	pdbx_audit_support.grant_number
Description	The grant number associated with this source of support.
Type	string

Funding Country

Attribute	pdbx_audit_support.country
Description	The country/region providing the funding support for the entry. Funding information is optionally provided for entries after June 2016.
Type	string

Content Types Available in the Repository

Attribute	rcsb_repository_holdings_current.repository_content_types
Description	The list of content types associated with this entry.
Type	string
Enumeration	2fo-fc Map Combined NMR data (NEF) Combined NMR data (NMR-STAR) FASTA sequence Map Coefficients NMR chemical shifts NMR restraints V1 NMR restraints V2 assembly PDB assembly mmCIF entry PDB entry PDB bundle entry PDBML entry mmCIF fo-fc Map structure factors validation data mmCIF validation report validation slider image
Examples	entry mmCIF

Content Types Available in a Related Resource

Attribute	pdbx_database_related.content_type
Description	The identifying content type of the related entry.
Type	string
Enumeration	associated EM volume associated NMR restraints associated SAS data associated structure factors complete structure consensus EM volume derivative structure ensemble focused EM volume minimized average structure native structure other other EM volume protein target sequence and/or protocol data re-refinement representative structure split unspecified
Examples	minimized average structure representative structure ensemble derivative structure native structure associated EM volume other EM volume associated NMR restraints associated structure factors associated SAS data protein target sequence and/or protocol data split re-refinement complete structure unspecified other

Related Resource Name Containing Additional Content

Attribute	pdbx_database_related.db_name
Description	The name of the database containing the related entry.
Type	string
Enumeration	BIOISIS BMCD BMRB EMDB NDB PDB PDB-Dev SASBDB TargetDB TargetTrack
Examples	PDB - Protein Databank NDB - Nucleic Acid Database BMRB - BioMagResBank EMDB - Electron Microscopy Database BMCD - Biological Macromolecule Crystallization Database TargetTrack - Target Registration and Protocol Database SASBDB - Small Angle Scattering Biological Data Bank

Structure Determination Methodology

Attribute	rcsb_entry_info.structure_determination_methodology
Description	Indicates if the structure was determined using experimental or computational methods.
Type	string
Enumeration	computational experimental
Examples	experimental

Computed Structure Model ID(s)

Attribute	rcsb_comp_model_provenance.entry_id
Description	Entry identifier corresponding to the computed structure model.
Type	string
Examples	AF-P60325-F1 ma-bak-cepc-0019

Source Database

Attribute	rcsb_comp_model_provenance.source_db
Description	Source database for the computed structure model.
Type	string
Enumeration	AlphaFoldDB ModelArchive

Global Quality Score - pLDDT

Attribute	rcsb_ma_qa_metric_global.ma_qa_metric_global.value
Description	Value of the global QA metric.
Type	number
Nested Attribute	rcsb_ma_qa_metric_global.ma_qa_metric_global.type
Nested Attribute Minimum Value	23.15
Nested Attribute Maximum Value	98.77
Nested Attribute Examples	83.02 29.14

Entry Polymer Types

Attribute	rcsb_entry_info.selected_polymer_entity_types
Description	Selected polymer entity type categories describing the entry.
Type	string
Enumeration	Nucleic acid (only) Oligosaccharide (only) Other Protein (only) Protein/NA Protein/Oligosaccharide
Examples	Protein (only)

Entry Polymer Composition

Attribute	rcsb_entry_info.polymer_composition
Description	Categories describing the polymer entity composition for the entry.
Type	string
Enumeration	DNA DNA/RNA NA-hybrid NA/oligosaccharide RNA heteromeric protein homomeric protein oligosaccharide other other type composition other type pair protein/NA protein/NA/oligosaccharide protein/oligosaccharide
Examples	homomeric protein

Molecular Weight per Deposited Model

Attribute	rcsb_entry_info.molecular_weight
Description	The molecular mass (KDa) of polymer and non-polymer entities (exclusive of solvent) in the deposited structure entry.
Type	number
Minimum Value	0.42
Maximum Value	63486.35
Examples	33.43 45.53

Number of Assemblies

Attribute	rcsb_entry_info.assembly_count
Description	The number of assemblies defined for this entry including the deposited assembly.
Type	integer
Minimum Value	1
Maximum Value	44

Number of Distinct Molecular Entities

Attribute	rcsb_entry_info.entity_count
Description	The number of distinct polymer, non-polymer, branched molecular, and solvent entities per deposited structure model.
Type	integer
Minimum Value	1
Maximum Value	455

Number of Distinct Non-polymer Entities

Attribute	rcsb_entry_info.nonpolymer_entity_count
Description	The number of distinct non-polymer entities in the structure entry exclusive of solvent.
Type	integer
Minimum Value	0
Maximum Value	30

Number of Distinct Protein Entities

Attribute	rcsb_entry_info.polymer_entity_count_protein
Description	The number of distinct protein polymer entities.
Type	integer
Minimum Value	0
Maximum Value	150

Number of Distinct RNA Entities

Attribute	rcsb_entry_info.polymer_entity_count_RNA
Description	The number of distinct RNA polymer entities.
Type	integer
Minimum Value	0
Maximum Value	36

Number of Distinct DNA Entities

Attribute	rcsb_entry_info.polymer_entity_count_DNA
Description	The number of distinct DNA polymer entities.
Type	integer
Minimum Value	0
Maximum Value	455

Number of Distinct NA Hybrid Entities

Attribute	rcsb_entry_info.polymer_entity_count_nucleic_acid_hybrid
Description	The number of distinct hybrid nucleic acid polymer entities.
Type	integer
Minimum Value	0
Maximum Value	3

Total Number of Polymer Instances (Chains)

Attribute	rcsb_entry_info.deposited_polymer_entity_instance_count
Description	The number of polymer instances in the deposited data set. This is the total count of polymer entity instances reported per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	1792

Total Number of Non-polymer Instances

Attribute	rcsb_entry_info.deposited_nonpolymer_entity_instance_count
Description	The number of non-polymer instances in the deposited data set. This is the total count of non-polymer entity instances reported per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	5351

Total Number of Polymer Residues per Deposited Model

Attribute	rcsb_entry_info.deposited_polymer_monomer_count
Description	The number of polymer monomers in sample entity instances in the deposited data set. This is the total count of monomers for all polymer entity instances reported per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	566853

Number of Non-Hydrogen Atoms per Deposited Model

Attribute	rcsb_entry_info.deposited_atom_count
Description	The number of heavy atom coordinates records per deposited structure model.
Type	integer
Minimum Value	28
Maximum Value	3968189

Number of Hydrogen Atoms per Deposited Model

Attribute	rcsb_entry_info.deposited_hydrogen_atom_count
Description	The number of hydrogen atom coordinates records per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	680778

Number of Water Molecules per Deposited Model

Attribute	rcsb_entry_info.deposited_solvent_atom_count
Description	The number of heavy solvent atom coordinates records per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	15347

Number of Deuterated Water Molecules per Deposited Model

Attribute	rcsb_entry_info.deposited_deuterated_water_count
Description	The number of deuterated water molecules per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	1114

Deposited Model Count

Attribute	rcsb_entry_info.deposited_model_count
Description	The number of model structures deposited.
Type	integer
Minimum Value	1
Maximum Value	640

Disulfide Bond Count per Deposited Model

Attribute	rcsb_entry_info.disulfide_bond_count
Description	The number of disulfide bonds per deposited structure model.
Type	integer
Minimum Value	0
Maximum Value	1356

Polymer Entity Description

Attribute	rcsb_polymer_entity.pdbx_description
Description	A description of the polymer entity.
Type	string
Examples	Green fluorescent protein 23S ribosomal RNA NAD-dependent protein deacylase sirtuin-5, mitochondrial

Macromolecule Name

Attribute	rcsb_polymer_entity.rcsb_macromolecular_names_combined.name
Description	Combined list of macromolecular names.
Type	string
Examples	Lysozyme C Plasmid recombination enzyme Pyruvate carboxylase

Polymer Entity Type

Attribute	entity_poly.rcsb_entity_polymer_type
Description	A coarse-grained polymer entity type.
Type	string
Enumeration	Protein DNA RNA NA-hybrid Other

Polymer Entity Sequence Length

Attribute	entity_poly.rcsb_sample_sequence_length
Description	The monomer length of the sample sequence.
Type	integer
Minimum Value	1
Maximum Value	19000

Polymer Entity Mutation Count

Attribute	entity_poly.rcsb_mutation_count
Description	Number of engineered mutations engineered in the sample sequence.
Type	integer
Minimum Value	0
Maximum Value	657

Polymer Entity Molecular Weight

Attribute	rcsb_polymer_entity.formula_weight
Description	Formula mass (KDa) of the entity.
Type	number
Minimum Value	0.12
Maximum Value	6061.92
Examples	40 105

Glycosylation Site

Attribute	rcsb_polymer_struct_conn.role
Description	The chemical or structural role of the interaction
Type	string
Enumeration	C-Mannosylation N-Glycosylation O-Glycosylation S-Glycosylation
Examples	N-Glycosylation O-Glycosylation

Gene Name

Attribute	rcsb_entity_source_organism.rcsb_gene_name.value
Description	Gene name.
Type	string
Examples	lacA hemH

Source Organism Taxonomy Name (Full Lineage)

Attribute	rcsb_entity_source_organism.taxonomy_lineage.name
Description	Memebers of the NCBI Taxonomy lineage as parent taxonomy names.
Type	string
Examples	Homo sapiens Mus musculus

Polymer Entity Name Combined

Attribute	rcsb_polymer_entity.rcsb_polymer_name_combined.names
Description	Protein name annotated by the UniProtKB or macromolecular name assigned by the PDB
Type	string

Source Organism Taxonomy ID (Full Lineage)

Attribute	rcsb_entity_source_organism.taxonomy_lineage.id
Description	Members of the NCBI Taxonomy lineage as parent taxonomy idcodes.
Type	string
Examples	9606 10090

Scientific Name of the Source Organism

Attribute	rcsb_entity_source_organism.ncbi_scientific_name
Description	The scientific name associated with this taxonomy code aggregated by the NCBI Taxonomy Database. This name corresponds to the taxonomy identifier assigned by the PDB depositor. References: Sayers EW, Barrett T, Benson DA, Bryant SH, Canese K, Chetvernin V, Church DM, DiCuccio M, Edgar R, Federhen S, Feolo M, Geer LY, Helmberg W, Kapustin Y, Landsman D, Lipman DJ, Madden TL, Maglott DR, Miller V, Mizrachi I, Ostell J, Pruitt KD, Schuler GD, Sequeira E, Sherry ST, Shumway M, Sirotkin K, Souvorov A, Starchenko G, Tatusova TA, Wagner L, Yaschenko E, Ye J (2009). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res. 2009 Jan;37(Database issue):D5-15. Epub 2008 Oct 21. Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Sayers EW (2009). GenBank. Nucleic Acids Res. 2009 Jan;37(Database issue):D26-31. Epub 2008 Oct 21.
Type	string

Parent Scientific Name (typically superkingdom or clade)

Attribute	rcsb_entity_source_organism.ncbi_parent_scientific_name
Description	A parent scientific name in the NCBI taxonomy hierarchy of the source organism assigned by the PDB depositor. For cellular organism this corresponds to a superkingdom (e.g., Archaea, Bacteria, Eukaryota). For viruses this corresponds to a clade (e.g. Adnaviria, Bicaudaviridae, Clavaviridae). For other and unclassified entries this corresponds to the first level of any taxonomic rank below the root level. References: Sayers EW, Barrett T, Benson DA, Bryant SH, Canese K, Chetvernin V, Church DM, DiCuccio M, Edgar R, Federhen S, Feolo M, Geer LY, Helmberg W, Kapustin Y, Landsman D, Lipman DJ, Madden TL, Maglott DR, Miller V, Mizrachi I, Ostell J, Pruitt KD, Schuler GD, Sequeira E, Sherry ST, Shumway M, Sirotkin K, Souvorov A, Starchenko G, Tatusova TA, Wagner L, Yaschenko E, Ye J (2009). Database resources of the National Center for Biotechnology Information. Nucleic Acids Res. 2009 Jan;37(Database issue):D5-15. Epub 2008 Oct 21. Benson DA, Karsch-Mizrachi I, Lipman DJ, Ostell J, Sayers EW (2009). GenBank. Nucleic Acids Res. 2009 Jan;37(Database issue):D26-31. Epub 2008 Oct 21.
Type	string
Examples	Archaea Bacteria Eukaryota Adnaviria Bicaudaviridae Clavaviridae Duplodnaviria

Source Organism Type

Attribute	rcsb_entity_source_organism.source_type
Description	The source type for the entity
Type	string
Enumeration	genetically engineered natural synthetic

Polymer Entity Source Count

Attribute	rcsb_polymer_entity.rcsb_source_part_count
Description	The number of biological sources for the polymer entity. Multiple source contributions may come from the same organism (taxonomy).
Type	integer
Minimum Value	0
Maximum Value	21

Polymer Entity Distinct Taxonomy Count

Attribute	rcsb_polymer_entity.rcsb_source_taxonomy_count
Description	The number of distinct source taxonomies for the polymer entity. Commonly used to identify chimeric polymers.
Type	integer
Minimum Value	0
Maximum Value	5

Expression System Organism Taxonomy Name

Attribute	rcsb_entity_host_organism.taxonomy_lineage.name
Description	Members of the NCBI Taxonomy lineage as parent taxonomy names.
Type	string
Examples	Escherichia coli BL21(DE3) Baculovirus

Expression System Organism Taxonomy ID

Attribute	rcsb_entity_host_organism.taxonomy_lineage.id
Description	Members of the NCBI Taxonomy lineage as parent taxonomy idcodes.
Type	string
Examples	469008 10469

Enzyme Classification Number

Attribute	rcsb_polymer_entity.rcsb_ec_lineage.id
Description	Members of the enzyme classification lineage as parent classification codes.
Type	string
Examples	2 2.7.1.153
Iterable	true

Enzyme Classification Name

Attribute	rcsb_polymer_entity.rcsb_ec_lineage.name
Description	Members of the enzyme classification lineage as parent classification names.
Type	string
Examples	Transferases phosphatidylinositol-4,5-bisphosphate 3-kinase

Identifier - Pfam Protein Family

Attribute	rcsb_polymer_entity_annotation.annotation_id
Description	An identifier for the annotation.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	PF00049 PF00441

Name - Pfam Protein Family

Attribute	rcsb_polymer_entity_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	Insulin/IGF/Relaxin family (Insulin) Acyl-CoA dehydrogenase, C-terminal domain (Acyl-CoA_dh_1)

Name - IMPC Phenotype

Attribute	rcsb_uniprot_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	immune system phenotype mortality/aging

Lineage Identifier - CARD

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	ARO:3001059 ARO:3000015

Lineage Identifier - Membrane Proteins of Known 3D Structure

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	MONOTOPIC MEMBRANE PROTEINS.Oxidases.Monoamine Oxidase A

Lineage Identifier - Orientations of Proteins in Membranes (OPM) Database

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	Transmembrane.Bitopic proteins.Bitopic proteins with NAD(P)-binding Rossmann-fold domains.Flavin containing amine oxidoreductase

Chromosomal Locus (Browser ID)

Attribute	rcsb_genomic_lineage.id
Description	Automatically assigned ID that uniquely identifies taxonomy, chromosome or gene in the Genome Location Browser.
Type	string
Examples	9606 568815441 414325

Lineage Identifier - Pharos Disease

Attribute	rcsb_uniprot_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	MONDO:0100118 MONDO:0002051

Lineage Identifier - Gene Ontology

Attribute	rcsb_uniprot_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	GO:0005575 GO:0005622

Lineage Identifier - InterPro Protein Family

Attribute	rcsb_uniprot_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	IPR022352 IPR004825

Lineage Name - CARD

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	SHV-1 SHV beta-lactamase

Lineage Name - Membrane Proteins of Known 3D Structure

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	Monoamine Oxidase A

Lineage Name - Orientations of Proteins in Membranes (OPM) Database

Attribute	rcsb_polymer_entity_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_entity_annotation.type
Nested Attribute Examples	Flavin containing amine oxidoreductase

Lineage Name - Pharos Disease

Attribute	rcsb_uniprot_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	hepatocellular carcinoma tuberculosis

Lineage Name - Gene Ontology

Attribute	rcsb_uniprot_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	cellular_component intracellular

Lineage Name - InterPro Protein Family

Attribute	rcsb_uniprot_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_uniprot_annotation.type
Nested Attribute Examples	Insulin family Insulin

Count Per Polymer Entity - Cloning artifact, expression tag, linker

Attribute	rcsb_polymer_entity_feature_summary.count
Description	The feature count.
Type	integer
Nested Attribute	rcsb_polymer_entity_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	22
Nested Attribute Examples	1 10

Count Per Polymer Entity - Modified chemical component

Attribute	rcsb_polymer_entity_feature_summary.count
Description	The feature count.
Type	integer
Nested Attribute	rcsb_polymer_entity_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	4128
Nested Attribute Examples	2 5

Coverage Fraction Per Polymer Entity - Cloning artifact, expression tag, linker

Attribute	rcsb_polymer_entity_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as mutations, artifacts or modified monomers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_entity_feature_summary.type
Nested Attribute Examples	0.02 0.12

Coverage Fraction Per Polymer Entity - Modified chemical component

Attribute	rcsb_polymer_entity_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as mutations, artifacts or modified monomers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_entity_feature_summary.type
Nested Attribute Examples	0.01 0.05

Reference Sequence Coverage - UniProt

Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.reference_sequence_coverage
Description	Indicates what fraction of the reference sequence is covered by this polymer entity sequence.
Type	number
Nested Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name
Nested Attribute Examples	0.25 0.75

Entity Sequence Coverage - UniProt

Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.entity_sequence_coverage
Description	Indicates what fraction of this polymer entity sequence is covered by the reference sequence.
Type	number
Nested Attribute	rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name
Nested Attribute Examples	0.25 0.75

Lineage Identifier - CATH

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	2.30.30.40 3.30.420.40

Lineage Identifier - SCOP

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	82057 53067

Lineage Identifier - SCOP2 Family/Superfamily

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	3001607 4000551 2000122 1000001

Lineage Identifier - ECOD

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	100001 300013

Lineage Name - CATH

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	SH3 Domains ATP Synthase

Lineage Name - SCOP

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	Prokaryotic SH3-related domain Actin-like ATPase domain

Lineage Name - SCOP2 Family/Superfamily

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	Sialidases (neuraminidases) FAD-dependent thiol oxidase Globin-like Sialidases

Lineage Name - ECOD

Attribute	rcsb_polymer_instance_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_polymer_instance_annotation.type
Nested Attribute Examples	F: Evr1_Alr F: Peptidase_C30_C

Count Per Polymer Chain - CIS Peptide linkages

Attribute	rcsb_polymer_instance_feature_summary.count
Description	The feature count per polymer chain.
Type	integer
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	301
Nested Attribute Examples	1 10

Count Per Polymer Chain - Protein helices

Attribute	rcsb_polymer_instance_feature_summary.count
Description	The feature count per polymer chain.
Type	integer
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	374
Nested Attribute Examples	1 10

Count Per Polymer Chain - Beta-sheets

Attribute	rcsb_polymer_instance_feature_summary.count
Description	The feature count per polymer chain.
Type	integer
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	289
Nested Attribute Examples	1 10

Count Per Polymer Chain - Real space density correlation outlier

Attribute	rcsb_polymer_instance_feature_summary.count
Description	The feature count per polymer chain.
Type	integer
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	2824
Nested Attribute Examples	1 10

Count Per Polymer Chain - Real space outlier

Attribute	rcsb_polymer_instance_feature_summary.count
Description	The feature count per polymer chain.
Type	integer
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Minimum Value	1
Nested Attribute Maximum Value	2825
Nested Attribute Examples	1 10

Coverage Fraction Per Polymer Chain - Protein helices

Attribute	rcsb_polymer_instance_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as CATH or SCOP domains, secondary structure elements, unobserved residues, or geometrical outliers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Examples	0.15 0.45

Coverage Fraction Per Polymer Chain - Beta-sheets

Attribute	rcsb_polymer_instance_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as CATH or SCOP domains, secondary structure elements, unobserved residues, or geometrical outliers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Examples	0.15 0.45

Coverage Fraction Per Polymer Chain - Unobserved Residues

Attribute	rcsb_polymer_instance_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as CATH or SCOP domains, secondary structure elements, unobserved residues, or geometrical outliers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Examples	0.15 0.45

Coverage Fraction Per Polymer Chain - Unobserved Atoms

Attribute	rcsb_polymer_instance_feature_summary.coverage
Description	The fractional feature coverage relative to the full entity sequence. For instance, the fraction of features such as CATH or SCOP domains, secondary structure elements, unobserved residues, or geometrical outliers relative to the length of the entity sequence.
Type	number
Nested Attribute	rcsb_polymer_instance_feature_summary.type
Nested Attribute Examples	0.15 0.45

Component Identifier

Attribute	rcsb_nonpolymer_entity_container_identifiers.nonpolymer_comp_id
Description	Non-polymer(ligand) chemical component identifier for the entity in this container.
Type	string
Examples	GTP STN

Component Identifier - Investigated Molecule

Attribute	rcsb_nonpolymer_entity_annotation.comp_id
Description	Non-polymer(ligand) chemical component identifier for the entity.
Type	string
Nested Attribute	rcsb_nonpolymer_entity_annotation.type
Nested Attribute Examples	BEZ PQM

Component Identifier - Has Covalent Linkage

Attribute	rcsb_nonpolymer_instance_annotation.comp_id
Description	Non-polymer (ligand) chemical component identifier.
Type	string
Nested Attribute	rcsb_nonpolymer_instance_annotation.type
Nested Attribute Examples	BMZ ATP

Component Identifier - Has Metal Coordination

Attribute	rcsb_nonpolymer_instance_annotation.comp_id
Description	Non-polymer (ligand) chemical component identifier.
Type	string
Nested Attribute	rcsb_nonpolymer_instance_annotation.type
Nested Attribute Examples	SF4 HEM

Component Identifier - Has No Covalent Linkage

Attribute	rcsb_nonpolymer_instance_annotation.comp_id
Description	Non-polymer (ligand) chemical component identifier.
Type	string
Nested Attribute	rcsb_nonpolymer_instance_annotation.type
Nested Attribute Examples	J5C DID

Binding Affinity Value - IC50

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	0.0010
Nested Attribute Maximum Value	8.0e8
Nested Attribute Examples	0.8 14
Units	nM

Binding Affinity Value - EC50

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	0.0040
Nested Attribute Maximum Value	3.0e6
Nested Attribute Examples	0.18 23000
Units	nM

Binding Affinity Value - Kd

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	6.0e-7
Nested Attribute Maximum Value	1.4e9
Nested Attribute Examples	6.5 220000
Units	nM

Binding Affinity Value - Ka

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	0.0011
Nested Attribute Maximum Value	1.0e14
Nested Attribute Examples	7.5 1700
Units	M⁻¹

Binding Affinity Value - Ki

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	0.000011
Nested Attribute Maximum Value	1.0e14
Nested Attribute Examples	4 390000
Units	nM

Binding Affinity Value - ΔG

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	-1.1e3
Nested Attribute Maximum Value	30
Nested Attribute Examples	17.2 21.4
Units	kJ/mol

Binding Affinity Value - ΔH

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	-7.8e2
Nested Attribute Maximum Value	73
Nested Attribute Examples	66.9 123
Units	kJ/mol

Binding Affinity Value - -TΔS

Attribute	rcsb_binding_affinity.value
Description	Binding affinity value between a ligand and its target molecule.
Type	number
Nested Attribute	rcsb_binding_affinity.type
Nested Attribute Minimum Value	-3.1e2
Nested Attribute Maximum Value	1.7e3
Nested Attribute Examples	18.1 47.2
Units	kJ/mol

Branched Entity Type

Attribute	pdbx_entity_branch.type
Description	The type of this branched oligosaccharide.
Type	string
Enumeration	oligosaccharide

Oligosaccharide Entity Description

Attribute	rcsb_branched_entity.pdbx_description
Description	A description of the branched entity.
Type	string
Examples	alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose beta-D-xylopyranose-(1-4)-beta-D-xylopyranose

Oligosaccharide Formula Weight

Attribute	rcsb_branched_entity.formula_weight
Description	Formula mass (KDa) of the branched entity.
Type	number
Minimum Value	0.27
Maximum Value	10.41
Examples	0.745 1.2

Oligosaccharide Linear Descriptor - LINUCS

Attribute	pdbx_entity_branch_descriptor.descriptor
Description	This data item contains the descriptor value for this entity.
Type	string
Nested Attribute	pdbx_entity_branch_descriptor.type
Nested Attribute Examples	[][a-D-Manp]{[(2+1)][a-D-Manp]{}} []{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}

Oligosaccharide Linear Descriptor - Glycam Condensed Sequence

Attribute	pdbx_entity_branch_descriptor.descriptor
Description	This data item contains the descriptor value for this entity.
Type	string
Nested Attribute	pdbx_entity_branch_descriptor.type
Nested Attribute Examples	DManpa1-2DManpa1-ROH DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-

Oligosaccharide Linear Descriptor - WURCS

Attribute	pdbx_entity_branch_descriptor.descriptor
Description	This data item contains the descriptor value for this entity.
Type	string
Nested Attribute	pdbx_entity_branch_descriptor.type
Nested Attribute Examples	WURCS=2.0/1,2,1/[a1122h-1a_1-5]/1-1/a2-b1 WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1

Oligosaccharide Component Count

Attribute	pdbx_entity_branch.rcsb_branched_component_count
Description	Number of constituent chemical components in the branched entity.
Type	integer
Minimum Value	2
Maximum Value	36

Oligosaccharide Component List

Attribute	rcsb_branched_entity_container_identifiers.chem_comp_monomers
Description	Unique list of monomer chemical component identifiers in the entity in this container.
Type	string
Examples	NAG MAN GAL
Iterable	true

Number of Non-Hydrogen Atoms per Assembly

Attribute	rcsb_assembly_info.atom_count
Description	The assembly non-hydrogen atomic coordinate count.
Type	integer
Minimum Value	7
Maximum Value	39959280

Number of Hydrogen Atoms per Assembly

Attribute	rcsb_assembly_info.hydrogen_atom_count
Description	The assembly hydrogen atomic coordinate count.
Type	integer
Minimum Value	0
Maximum Value	5795340

Number of Water Molecules per Assembly

Attribute	rcsb_assembly_info.solvent_atom_count
Description	The assembly non-hydrogen solvent atomic coordinate count.
Type	integer
Minimum Value	0
Maximum Value	78540

Number of Deuterated Water Molecules per Assembly

Attribute	rcsb_assembly_info.deuterated_water_count
Description	The assembly deuterated water molecule count.
Type	integer
Minimum Value	0
Maximum Value	2228

Number of Polymer Residues per Assembly

Attribute	rcsb_assembly_info.polymer_monomer_count
Description	The number of polymer monomers in sample entity instances comprising the assembly data set. This is the total count of monomers for all polymer entity instances in the generated assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	5340600

Number of Modeled Polymer Residues per Assembly

Attribute	rcsb_assembly_info.modeled_polymer_monomer_count
Description	The number of modeled polymer monomers in the assembly coordinate data. This is the total count of monomers with reported coordinate data for all polymer entity instances in the generated assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	5086680

Number of Unmodeled Polymer Residues per Assembly

Attribute	rcsb_assembly_info.unmodeled_polymer_monomer_count
Description	The number of unmodeled polymer monomers in the assembly coordinate data. This is the total count of monomers with unreported coordinate data for all polymer entity instances in the generated assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	515880

Number of Polymer Instances (Chains) per Assembly

Attribute	rcsb_assembly_info.polymer_entity_instance_count
Description	The number of polymer instances in the generated assembly data set. This is the total count of polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	8280

Number of Non-polymer Instances per Assembly

Attribute	rcsb_assembly_info.nonpolymer_entity_instance_count
Description	The number of non-polymer instances in the generated assembly data set exclusive of solvent. This is the total count of non-polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	4593

Number of Protein Instances (Chains) per Assembly

Attribute	rcsb_assembly_info.polymer_entity_instance_count_protein
Description	The number of protein polymer instances in the generated assembly data set. This is the total count of protein polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	8280

Number of DNA Instances (Chains) per Assembly

Attribute	rcsb_assembly_info.polymer_entity_instance_count_DNA
Description	The number of DNA polymer instances in the generated assembly data set. This is the total count of DNA polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	455

Number of RNA Instances (Chains) per Assembly

Attribute	rcsb_assembly_info.polymer_entity_instance_count_RNA
Description	The number of RNA polymer instances in the generated assembly data set. This is the total count of RNA polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	180

Number of NA Hybrid Instances (Chains) per Assembly

Attribute	rcsb_assembly_info.polymer_entity_instance_count_nucleic_acid_hybrid
Description	The number of hybrid nucleic acide polymer instances in the generated assembly data set. This is the total count of hybrid nucleic acid polymer entity instances generated in the assembly coordinate data.
Type	integer
Minimum Value	0
Maximum Value	8

Assembly Experimental Support

Attribute	pdbx_struct_assembly_auth_evidence.experimental_support
Description	Provides the experimental method to determine the state of this assembly
Type	string
Enumeration	NMR Distance Restraints NMR relaxation study SAXS assay for oligomerization cross-linking electron microscopy equilibrium centrifugation fluorescence resonance energy transfer gel filtration homology immunoprecipitation isothermal titration calorimetry light scattering mass spectrometry microscopy native gel electrophoresis none scanning transmission electron microscopy surface plasmon resonance

Assembly Experimental Support Details

Attribute	pdbx_struct_assembly_auth_evidence.details
Description	Provides any additional information regarding the evidence of this assembly
Type	string
Examples	Homology to bacteriorhodopsin Helical filament was observed by negative staining and Cryo-EM

Symmetry Symbol

Attribute	rcsb_struct_symmetry.symbol
Description	Symmetry symbol refers to point group or helical symmetry of identical polymeric subunits in Schönflies notation. Contains point group symbol (e.g., C2, C5, D2, T, O, I) or H for helical symmetry.
Type	string
Examples	C1 D3 H

Annotation Id (Assembly Annotation)

Attribute	rcsb_assembly_annotation.annotation_id
Description	An identifier for the annotation.
Type	string

Name (Assembly Annotation) - Mechanism and Catalytic Site Atlas

Attribute	rcsb_assembly_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_assembly_annotation.type
Nested Attribute Examples	Glutamate racemase Leucyl aminopeptidase

Oligomeric State

Attribute	rcsb_struct_symmetry.oligomeric_state
Description	Oligomeric state refers to a composition of polymeric subunits in quaternary structure. Quaternary structure may be composed either exclusively of several copies of identical subunits, in which case they are termed homo-oligomers, or alternatively by at least one copy of different subunits (hetero-oligomers). Quaternary structure composed of a single subunit is denoted as 'Monomer'.
Type	string
Examples	Monomer Homo 2-mer Hetero 3-mer

Symmetry Type

Attribute	rcsb_struct_symmetry.type
Description	Symmetry type refers to point group or helical symmetry of identical polymeric subunits. Contains point group types (e.g. Cyclic, Dihedral) or Helical for helical symmetry.
Type	string
Enumeration	Asymmetric Cyclic Dihedral Helical Icosahedral Octahedral Tetrahedral

Symmetry Class

Attribute	rcsb_struct_symmetry.kind
Description	The granularity at which the symmetry calculation is performed. In 'Global Symmetry' all polymeric subunits in assembly are used. In 'Local Symmetry' only a subset of polymeric subunits is considered. In 'Pseudo Symmetry' the threshold for subunits similarity is relaxed.
Type	string
Enumeration	Global Symmetry Local Symmetry Pseudo Symmetry

Protein Symmetry (Browser ID)

Attribute	rcsb_struct_symmetry_lineage.id
Description	Automatically assigned ID to uniquely identify the symmetry term in the Protein Symmetry Browser.
Type	string
Examples	Global Symmetry.Cyclic.C2.Homo 2-mer

Experimental Method

Attribute	exptl.method
Description	The method used in the experiment.
Type	string
Enumeration	X-RAY DIFFRACTION ELECTRON MICROSCOPY SOLID-STATE NMR SOLUTION NMR NEUTRON DIFFRACTION ELECTRON CRYSTALLOGRAPHY POWDER DIFFRACTION FIBER DIFFRACTION SOLUTION SCATTERING EPR FLUORESCENCE TRANSFER INFRARED SPECTROSCOPY THEORETICAL MODEL
Examples	X-RAY DIFFRACTION NEUTRON DIFFRACTION FIBER DIFFRACTION ELECTRON CRYSTALLOGRAPHY ELECTRON MICROSCOPY SOLUTION NMR SOLID-STATE NMR SOLUTION SCATTERING POWDER DIFFRACTION

Experimental Method (Broader Categories)

Attribute	rcsb_entry_info.experimental_method
Description	The category of experimental method(s) used to determine the structure entry.
Type	string
Enumeration	EM Multiple methods NMR Neutron Other X-ray
Examples	X-ray

Number of Experimental Methods

Attribute	rcsb_entry_info.experimental_method_count
Description	The number of experimental methods contributing data to the structure determination.
Type	integer
Minimum Value	1
Maximum Value	3

Refinement Resolution

Attribute	rcsb_entry_info.resolution_combined
Description	Combined estimates of experimental resolution contributing to the refined structural model. Resolution reported in "refine.ls_d_res_high" is used for X-RAY DIFFRACTION, FIBER DIFFRACTION, POWDER DIFFRACTION, ELECTRON CRYSTALLOGRAPHY, and NEUTRON DIFFRACTION as identified in "refine.pdbx_refine_id". Resolution reported in "em_3d_reconstruction.resolution" is used for ELECTRON MICROSCOPY. The best value corresponding to "em_3d_reconstruction.resolution_method" == "FSC 0.143 CUT-OFF" is used, if available. If not, the best "em_3d_reconstruction.resolution" value is used. For structures that are not obtained from diffraction-based methods, the resolution values in "refine.ls_d_res_high" are ignored. Multiple values are reported only if multiple methods are used in the structure determination.
Type	number
Minimum Value	0.48
Maximum Value	70
Examples	1.11 2.05

Software

Attribute	rcsb_entry_info.software_programs_combined
Description	Combined list of software programs names reported in connection with the production of this entry.
Type	string
Examples	PHASER PHENIX REFMAC

Starting Model Type

Attribute	pdbx_initial_refinement_model.type
Description	This item describes the type of the initial model was generated
Type	string
Enumeration	experimental model in silico model integrative model other

Starting Model Source

Attribute	pdbx_initial_refinement_model.source_name
Description	This item identifies the resource of initial model used for refinement
Type	string
Enumeration	AlphaFold ITasser InsightII ModelArchive Modeller Other PDB PDB-Dev PHYRE Robetta RoseTTAFold SwissModel

Starting Model Accession

Attribute	pdbx_initial_refinement_model.accession_code
Description	This item identifies an accession code of the resource where the initial model is used
Type	string

Structure Determination Method

Attribute	refine.pdbx_method_to_determine_struct
Description	Method(s) used to determine the structure.
Type	string
Examples	AB INITIO PHASING DM ISAS ISIR ISIRAS MAD MIR MIRAS MR SIR SIRAS

Average B Factor

Attribute	refine.B_iso_mean
Description	The mean isotropic displacement parameter (B value) for the coordinate set.
Type	number
Minimum Value	-13.76
Maximum Value	1274.1

Refinement R Factors (Observed)

Attribute	refine.ls_R_factor_obs
Description	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion. _refine.ls_R_factor_obs should not be confused with _refine.ls_R_factor_R_work; the former reports the results of a refinement in which all observed reflections were used, the latter a refinement in which a subset of the observed reflections were excluded from refinement for the calculation of a 'free' R factor. However, it would be meaningful to quote both values if a 'free' R factor were calculated for most of the refinement, but all of the observed reflections were used in the final rounds of refinement; such a protocol should be explained in _refine.details. sum\|F~obs~ - F~calc~\| R = --------------------- sum\|F~obs~\| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
Type	number
Minimum Value	0.04
Maximum Value	0.98

Refinement R Factors (All)

Attribute	refine.ls_R_factor_all
Description	Residual factor R for all reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low. sum\|F~obs~ - F~calc~\| R = --------------------- sum\|F~obs~\| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
Type	number
Minimum Value	0
Maximum Value	1

Refinement R Factors (R Work)

Attribute	refine.ls_R_factor_R_work
Description	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the working reflections (i.e. were included in the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. _refine.ls_R_factor_obs should not be confused with _refine.ls_R_factor_R_work; the former reports the results of a refinement in which all observed reflections were used, the latter a refinement in which a subset of the observed reflections were excluded from refinement for the calculation of a 'free' R factor. However, it would be meaningful to quote both values if a 'free' R factor were calculated for most of the refinement, but all of the observed reflections were used in the final rounds of refinement; such a protocol should be explained in _refine.details. sum\|F~obs~ - F~calc~\| R = --------------------- sum\|F~obs~\| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
Type	number
Minimum Value	0.04
Maximum Value	0.61

Refinement R Factors (R Free)

Attribute	refine.ls_R_factor_R_free
Description	Residual factor R for reflections that satisfy the resolution limits established by _refine.ls_d_res_high and _refine.ls_d_res_low and the observation limit established by _reflns.observed_criterion, and that were used as the test reflections (i.e. were excluded from the refinement) when the refinement included the calculation of a 'free' R factor. Details of how reflections were assigned to the working and test sets are given in _reflns.R_free_details. sum\|F~obs~ - F~calc~\| R = --------------------- sum\|F~obs~\| F~obs~ = the observed structure-factor amplitudes F~calc~ = the calculated structure-factor amplitudes sum is taken over the specified reflections
Type	number
Minimum Value	0.05
Maximum Value	0.56

Structure Refinement Details

Attribute	refine.details
Description	Description of special aspects of the refinement process.
Type	string
Examples	HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

Data Collection Resolution

Attribute	rcsb_entry_info.diffrn_resolution_high.value
Description	The high resolution limit of data collection.
Type	number
Minimum Value	0.48
Maximum Value	15

B Wilson Estimate

Attribute	reflns.B_iso_Wilson_estimate
Description	The value of the overall isotropic displacement parameter estimated from the slope of the Wilson plot.
Type	number
Minimum Value	-242.62
Maximum Value	1119.43

Overall Redundancy

Attribute	reflns.pdbx_redundancy
Description	Overall redundancy for this data set.
Type	number
Minimum Value	0.04
Maximum Value	26558

Percentage of Possible Reflections

Attribute	reflns.percent_possible_obs
Description	The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _reflns.d_resolution_high and _reflns.d_resolution_low and the observation limit established by _reflns.observed_criterion.
Type	number
Minimum Value	0.04
Maximum Value	100

R Value for Merging Intensities (Observed)

Attribute	reflns.pdbx_Rmerge_I_obs
Description	The R value for merging intensities satisfying the observed criteria in this data set.
Type	number
Minimum Value	0
Maximum Value	9.9

Diffraction Detector

Attribute	diffrn_detector.type
Description	The make, model or name of the detector device used.
Type	string
Examples	DECTRIS PILATUS 12M RAYONIX MX-325

Diffraction Source Synchrotron Site

Attribute	diffrn_source.pdbx_synchrotron_site
Description	Synchrotron site.
Type	string
Examples	APS NSLS-II

Diffraction Source Synchrotron Beamline

Attribute	diffrn_source.pdbx_synchrotron_beamline
Description	Synchrotron beamline.
Type	string
Examples	17-ID-1 19-ID

Diffraction Source General Class

Attribute	diffrn_source.source
Description	The general class of the radiation source.
Type	string
Examples	sealed X-ray tube nuclear reactor spallation source electron microscope rotating-anode X-ray tube synchrotron

Diffraction Source Temperature

Attribute	diffrn.ambient_temp
Description	The mean temperature in kelvins at which the intensities were measured.
Type	number
Minimum Value	0
Maximum Value	446.15

Minimum Diffraction Wavelength

Attribute	rcsb_entry_info.diffrn_radiation_wavelength_minimum
Description	The minimum radiation wavelength in angstroms.
Type	number
Minimum Value	0
Maximum Value	81798

Maximum Diffraction Wavelength

Attribute	rcsb_entry_info.diffrn_radiation_wavelength_maximum
Description	The maximum radiation wavelength in angstroms.
Type	number
Minimum Value	0
Maximum Value	979257

Length a

Attribute	cell.length_a
Description	Unit-cell length a corresponding to the structure reported in angstroms.
Type	number
Minimum Value	1
Maximum Value	1255

Length b

Attribute	cell.length_b
Description	Unit-cell length b corresponding to the structure reported in angstroms.
Type	number
Minimum Value	1
Maximum Value	1255

Length c

Attribute	cell.length_c
Description	Unit-cell length c corresponding to the structure reported in angstroms.
Type	number
Minimum Value	1
Maximum Value	1933.3

Angle alpha

Attribute	cell.angle_alpha
Description	Unit-cell angle alpha of the reported structure in degrees.
Type	number
Minimum Value	58.8
Maximum Value	124.81

Angle beta

Attribute	cell.angle_beta
Description	Unit-cell angle beta of the reported structure in degrees.
Type	number
Minimum Value	45.4
Maximum Value	164.34

Angle gamma

Attribute	cell.angle_gamma
Description	Unit-cell angle gamma of the reported structure in degrees.
Type	number
Minimum Value	57.76
Maximum Value	125

Space Group

Attribute	symmetry.space_group_name_H_M
Description	Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin symbol does not necessarily contain complete information about the symmetry and the space-group origin. If used, always supply the FULL symbol from International Tables for Crystallography Vol. A (2002) and indicate the origin and the setting if it is not implicit. If there is any doubt that the equivalent positions can be uniquely deduced from this symbol, specify the _symmetry_equiv.pos_as_xyz or _symmetry.space_group_name_Hall data items as well. Leave spaces between symbols referring to different axes.
Type	string
Examples	A 1 A 1 2 1 A 2 B 1 1 2 B 2 B 2 21 2 C 2 C 1 2 1 C 21 C 1 21 1 C 2(A 112) C 2 2 2 C 2 2 21 C 4 21 2 F 2 2 2 F 2 3 F 4 2 2 F 4 3 2 F 41 3 2 I 1 2 1 I 1 21 1 I 2 I 2 2 2 I 2 3 I 21 I 21 3 I 21 21 21 I 4 I 4 2 2 I 4 3 2 I 41 I 41/a I 41 2 2 I 41 3 2 P 1 P 1- P 2 P 1 2 1 P 1 1 2 P 2 2 2 P 2 3 P 2 2 21 P 2 21 21 P 21 P 1 21 1 P 1 21/c 1 P 1 1 21 P 21(C) P 21 2 21 P 21 3 P 21 21 2 P 21 21 2 A P 21 21 21 P 3 P 3 1 2 P 3 2 1 P 31 P 31 1 2 P 31 2 1 P 32 P 32 1 2 P 32 2 1 P 4 P 4 2 2 P 4 3 2 P 4 21 2 P 41 P 41 2 2 P 41 3 2 P 41 21 2 P 42 P 42 2 2 P 42 3 2 P 42 21 2 P 43 P 43 2 2 P 43 3 2 P 43 21 2 P 6 P 6 2 2 P 61 P 61 2 2 P 62 P 62 2 2 P 63 P 63 2 2 P 64 P 64 2 2 P 65 P 65 2 2 H 3 R 3 H 3 2 R 3 2

Density (Matthews)

Attribute	exptl_crystal.density_Matthews
Description	The density of the crystal, expressed as the ratio of the volume of the asymmetric unit to the molecular mass of a monomer of the structure, in units of angstroms^3^ per dalton. Ref: Matthews, B. W. (1968). J. Mol. Biol. 33, 491-497.
Type	number
Minimum Value	0
Maximum Value	45.14
Examples	3.1

Density (% solvent)

Attribute	exptl_crystal.density_percent_sol
Description	Density value P calculated from the crystal cell and contents, expressed as per cent solvent. P = 1 - (1.23 N MMass) / V N = the number of molecules in the unit cell MMass = the molecular mass of each molecule (gm/mole) V = the volume of the unit cell (A^3^) 1.23 = a conversion factor evaluated as: (0.74 cm^3^/g) (10^24^ A^3^/cm^3^) -------------------------------------- (6.02*10^23^) molecules/mole where 0.74 is an assumed value for the partial specific volume of the molecule
Type	number
Minimum Value	0
Maximum Value	96.06

Temperature

Attribute	exptl_crystal_grow.temp
Description	The temperature in kelvins at which the crystal was grown. If more than one temperature was employed during the crystallization process, the final temperature should be noted here and the protocol involving multiple temperatures should be described in _exptl_crystal_grow.details.
Type	number
Minimum Value	100
Maximum Value	328

Attribute	exptl_crystal_grow.pH
Description	The pH at which the crystal was grown. If more than one pH was employed during the crystallization process, the final pH should be noted here and the protocol involving multiple pH values should be described in _exptl_crystal_grow.details.
Type	number
Minimum Value	0
Maximum Value	12
Examples	7.4 7.6 4.3

Crystallization Method

Attribute	exptl_crystal_grow.method
Description	The method used to grow the crystals.
Type	string
Examples	MICROBATCH VAPOR DIFFUSION, HANGING DROP

Crystallization Details

Attribute	exptl_crystal_grow.pdbx_details
Description	Text description of crystal growth procedure.
Type	string
Examples	PEG 4000, potassium phosphate, magnesium chloride, cacodylate

Type of Twinning

Attribute	pdbx_reflns_twin.type
Description	There are two types of twinning: merohedral or hemihedral non-merohedral or epitaxial For merohedral twinning the diffraction patterns from the different domains are completely superimposable. Hemihedral twinning is a special case of merohedral twinning. It only involves two distinct domains. Pseudo-merohedral twinning is a subclass merohedral twinning in which lattice is coincidentally superimposable. In the case of non-merohedral or epitaxial twinning the reciprocal lattices do not superimpose exactly. In this case the diffraction pattern consists of two (or more) interpenetrating lattices, which can in principle be separated.
Type	string
Enumeration	epitaxial hemihedral merohedral non-merohedral pseudo-merohedral tetartohedral

Reconstruction Resolution

Attribute	em_3d_reconstruction.resolution
Description	The final resolution (in angstroms) of the 3D reconstruction.
Type	number
Minimum Value	0.6
Maximum Value	70
Examples	8.9 10

EM Specimen Aggregation State

Attribute	em_experiment.aggregation_state
Description	The aggregation/assembly state of the imaged specimen.
Type	string
Enumeration	PARTICLE CELL FILAMENT HELICAL ARRAY 2D ARRAY 3D ARRAY TISSUE

EM Reconstruction Method

Attribute	em_experiment.reconstruction_method
Description	The reconstruction method used in the EM experiment.
Type	string
Enumeration	CRYSTALLOGRAPHY HELICAL SINGLE PARTICLE SUBTOMOGRAM AVERAGING TOMOGRAPHY

EM Reconstruction Software

Attribute	em_software.name
Description	The name of the software package used, e.g., RELION. Depositors are strongly encouraged to provide a value in this field.
Type	string
Examples	EMAN Imagic Spider Bsoft UCSF-Chimera

EM Vitrification Instrument

Attribute	em_vitrification.instrument
Description	The type of instrument used in the vitrification process.
Type	string
Enumeration	CRYOSOL VITROJET EMS-002 RAPID IMMERSION FREEZER FEI VITROBOT MARK I FEI VITROBOT MARK II FEI VITROBOT MARK III FEI VITROBOT MARK IV GATAN CRYOPLUNGE 3 HOMEMADE PLUNGER LEICA EM CPC LEICA EM GP LEICA KF80 LEICA PLUNGER REICHERT-JUNG PLUNGER SPOTITON ZEISS PLUNGE FREEZER CRYOBOX

EM Microscope Model

Attribute	em_imaging.microscope_model
Description	The name of the model of microscope.
Type	string
Enumeration	FEI MORGAGNI FEI POLARA 300 FEI TALOS ARCTICA FEI TECNAI 10 FEI TECNAI 12 FEI TECNAI 20 FEI TECNAI ARCTICA FEI TECNAI F20 FEI TECNAI F30 FEI TECNAI SPHERA FEI TECNAI SPIRIT FEI TITAN FEI TITAN KRIOS FEI/PHILIPS CM10 FEI/PHILIPS CM12 FEI/PHILIPS CM120T FEI/PHILIPS CM200FEG FEI/PHILIPS CM200FEG/SOPHIE FEI/PHILIPS CM200FEG/ST FEI/PHILIPS CM200FEG/UT FEI/PHILIPS CM200T FEI/PHILIPS CM300FEG/HE FEI/PHILIPS CM300FEG/ST FEI/PHILIPS CM300FEG/T FEI/PHILIPS EM400 FEI/PHILIPS EM420 HITACHI EF2000 HITACHI EF3000 HITACHI H-9500SD HITACHI H3000 UHVEM HITACHI H7600 HITACHI HF2000 HITACHI HF3000 JEOL 1000EES JEOL 100B JEOL 100CX JEOL 1010 JEOL 1200 JEOL 1200EX JEOL 1200EXII JEOL 1230 JEOL 1400 JEOL 1400/HR + YPS FEG JEOL 2000EX JEOL 2000EXII JEOL 2010 JEOL 2010F JEOL 2010HC JEOL 2010HT JEOL 2010UHR JEOL 2011 JEOL 2100 JEOL 2100F JEOL 2200FS JEOL 2200FSC JEOL 3000SFF JEOL 3100FEF JEOL 3100FFC JEOL 3200FS JEOL 3200FSC JEOL 4000 JEOL 4000EX JEOL CRYO ARM 200 JEOL CRYO ARM 300 JEOL KYOTO-3000SFF SIEMENS SULEIKA TFS GLACIOS TFS KRIOS TFS TALOS TFS TALOS F200C TFS TALOS L120C TFS TUNDRA ZEISS LEO912 ZEISS LIBRA120PLUS

EM Accelerating Voltage

Attribute	em_imaging.accelerating_voltage
Description	A value of accelerating voltage (in kV) used for imaging.
Type	integer
Minimum Value	45
Maximum Value	400

EM Imaging Detector

Attribute	em_image_recording.film_or_detector_model
Description	The detector type used for recording images. Usually film , CCD camera or direct electron detector.
Type	string

EM Point Symmetry Imposed

Attribute	em_single_particle_entity.point_symmetry
Description	Point symmetry symbol, either Cn, Dn, T, O, or I
Type	string
Examples	C1 C5 C4

EM Staining Material

Attribute	em_staining.material
Description	The staining material.
Type	string
Examples	Uranyl Acetate

NMR Spectrometer Manufacturer

Attribute	pdbx_nmr_spectrometer.manufacturer
Description	The name of the manufacturer of the spectrometer.
Type	string
Examples	Varian Bruker JEOL GE

NMR Spectrometer Model

Attribute	pdbx_nmr_spectrometer.model
Description	The model of the NMR spectrometer.
Type	string
Examples	AVANCE AVANCE II AVANCE III AVANCE III HD WH WM AM AMX DMX DRX MSL OMEGA OMEGA PSG GX GSX A AL EC EX LA ECP VXRS UNITY UNITYPLUS INOVA

NMR Spectrometer Field Strength

Attribute	pdbx_nmr_spectrometer.field_strength
Description	The field strength in MHz of the spectrometer
Type	number
Minimum Value	0
Maximum Value	3400

NMR Method to Determination Structure

Attribute	pdbx_nmr_refine.method
Description	The method used to determine the structure.
Type	string
Examples	simulated annealing distance geometry simulated annealing molecular dynamics matrix relaxation torsion angle dynamics

Experimental Data Resource

Attribute	rcsb_external_references.type
Description	Internal identifier for external resource.
Type	string
Enumeration	BMRB EM DATA RESOURCE NAKB NDB OLDERADO PROTEIN DIFFRACTION SB GRID

UniProt-mapped Resource

Attribute	rcsb_uniprot_external_reference.reference_name
Description
Type	string
Enumeration	GTEX IMPC PHAROS

Primary Citation Author

Attribute	rcsb_primary_citation.rcsb_authors
Description	Names of the authors of the citation; relevant for journal articles, books and book chapters. Names are separated by vertical bars. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
Type	string
Examples	Bleary, Percival R.

Primary Citation Title

Attribute	rcsb_primary_citation.title
Description	The title of the citation; relevant for journal articles, books and book chapters.
Type	string
Examples	Structure of diferric duck ovotransferrin at 2.35 Angstroms resolution.

Primary Citation Journal Name (Abbreviated)

Attribute	rcsb_primary_citation.rcsb_journal_abbrev
Description	Normalized journal abbreviation.
Type	string
Examples	Nat Struct Mol Biol

Primary Citation Publication Year

Attribute	rcsb_primary_citation.year
Description	The year of the citation; relevant for journal articles, books and book chapters.
Type	integer
Minimum Value	1969
Maximum Value	2024

Primary Citation DOI

Attribute	rcsb_primary_citation.pdbx_database_id_DOI
Description	Document Object Identifier used by doi.org to uniquely specify bibliographic entry.
Type	string
Examples	10.2345/S1384107697000225

Primary Citation Author ORCID

Attribute	rcsb_primary_citation.rcsb_ORCID_identifiers
Description	The Open Researcher and Contributor ID (ORCID) identifiers for the citation authors.
Type	string
Examples	0000-0002-6681-547X

PubMed Abstract

Attribute	rcsb_pubmed_abstract_text
Description	A concise, accurate and factual mini-version of the paper contents.
Type	string

MeSH Identifier

Attribute	rcsb_pubmed_mesh_descriptors_lineage.id
Description	Identifier for MeSH classification term.
Type	string
Examples	E01.370.225.500.388 H01.181

MeSH Descriptor

Attribute	rcsb_pubmed_mesh_descriptors_lineage.name
Description	MeSH classification term.
Type	string
Examples	Chemistry Mammals Therapeutic Uses

Citation Author

Attribute	citation.rcsb_authors
Description	Names of the authors of the citation; relevant for journal articles, books and book chapters. Names are separated by vertical bars. The family name(s), followed by a comma and including any dynastic components, precedes the first name(s) or initial(s).
Type	string
Examples	Bleary, Percival R.

Citation Title

Attribute	citation.title
Description	The title of the citation; relevant for journal articles, books and book chapters.
Type	string
Examples	Structure of diferric duck ovotransferrin at 2.35 Angstroms resolution.

Citation Journal Name (Abbreviated)

Attribute	citation.rcsb_journal_abbrev
Description	Normalized journal abbreviation.
Type	string
Examples	Nat Struct Mol Biol

Citation Publication Year

Attribute	citation.year
Description	The year of the citation; relevant for journal articles, books and book chapters.
Type	integer
Minimum Value	1947
Maximum Value	2024

Citation DOI

Attribute	citation.pdbx_database_id_DOI
Description	Document Object Identifier used by doi.org to uniquely specify bibliographic entry.
Type	string
Examples	10.2345/S1384107697000225

Chemical Attributes

Chemical ID(s)

Attribute	rcsb_chem_comp_container_identifiers.comp_id
Description	The chemical component identifier.
Type	string
Examples	ATP STI
Iterable	true

Chemical Name

Attribute	chem_comp.name
Description	The full name of the component.
Type	string
Examples	alanine valine adenine cytosine

Chemical Synonyms

Attribute	rcsb_chem_comp_synonyms.name
Description	The synonym of this particular chemical component.
Type	string
Examples	Ursonic acid Talotrexin 4-oxodecanedioic acid

Chemical Component Release Date

Attribute	rcsb_chem_comp_info.initial_release_date
Description	The initial date the chemical definition was released in the PDB repository.
Type	string
Minimum Value	1973-05-03
Maximum Value	2024-05-29
Examples	2016-09-11

Chemical Component Type

Attribute	chem_comp.type
Description	For standard polymer components, the type of the monomer. Note that monomers that will form polymers are of three types: linking monomers, monomers with some type of N-terminal (or 5') cap and monomers with some type of C-terminal (or 3') cap.
Type	string
Enumeration	D-beta-peptide, C-gamma linking D-gamma-peptide, C-delta linking D-peptide COOH carboxy terminus D-peptide NH3 amino terminus D-peptide linking D-saccharide D-saccharide, alpha linking D-saccharide, beta linking DNA OH 3 prime terminus DNA OH 5 prime terminus DNA linking L-DNA linking L-RNA linking L-beta-peptide, C-gamma linking L-gamma-peptide, C-delta linking L-peptide COOH carboxy terminus L-peptide NH3 amino terminus L-peptide linking L-saccharide L-saccharide, alpha linking L-saccharide, beta linking RNA OH 3 prime terminus RNA OH 5 prime terminus RNA linking non-polymer other peptide linking peptide-like saccharide

Drug Target Name

Attribute	rcsb_chem_comp_target.name
Description	The chemical component target name.
Type	string

Drug Brand Name

Attribute	drugbank_info.brand_names
Description	DrugBank drug brand names.
Type	string
Examples	Atriphos; Striadyne

Drug Groups

Attribute	drugbank_info.drug_groups
Description	The DrugBank drug groups determine their drug development status.
Type	string
Enumeration	approved experimental illicit investigational nutraceutical vet_approved withdrawn
Examples	approved nutraceutical

Drug Is Approved

Attribute	drugbank_info.drug_products.approved
Description	Indicates whether this drug has been approved by the regulating government.
Type	string
Enumeration	N Y

Drug Marketing Start

Attribute	drugbank_info.drug_products.started_marketing_on
Description	The starting date for market approval.
Type	string
Minimum Value	1880-01-01
Maximum Value	2077-01-01
Examples	1992-12-31

Drug Marketing End

Attribute	drugbank_info.drug_products.ended_marketing_on
Description	The ending date for market approval.
Type	string
Minimum Value	1936-01-02
Maximum Value	2050-08-02
Examples	2003-07-30

Drug Market Availability

Attribute	drugbank_info.drug_products.country
Description	The country where this commercially available drug has been approved.
Type	string
Enumeration	Canada EU US
Examples	Canada

InChiKey

Attribute	rcsb_chem_comp_descriptor.InChIKey
Description	Standard IUPAC International Chemical Identifier (InChI) descriptor key for the chemical component InChI, the IUPAC International Chemical Identifier, by Stephen R Heller, Alan McNaught, Igor Pletnev, Stephen Stein and Dmitrii Tchekhovskoi, Journal of Cheminformatics, 2015, 7:23
Type	string
Examples	BNOCDEBUFVJMQI-REOHCLBHSA-N

Chemical Component Molecular Weight

Attribute	chem_comp.formula_weight
Description	Formula mass of the chemical component.
Type	number
Minimum Value	2.01
Maximum Value	5496.51
Examples	120.12 450.1

Chemical Component Nonhydrogen Atom Count

Attribute	rcsb_chem_comp_info.atom_count_heavy
Description	Chemical component heavy atom count
Type	integer
Minimum Value	0
Maximum Value	352

Chemical Component Chiral Atom Count

Attribute	rcsb_chem_comp_info.atom_count_chiral
Description	Chemical component chiral atom count
Type	integer
Minimum Value	0
Maximum Value	48

Chemical Component Bond Count

Attribute	rcsb_chem_comp_info.bond_count
Description	Chemical component total bond count
Type	integer
Minimum Value	0
Maximum Value	727

Chemical Component Aromatic Bond Count

Attribute	rcsb_chem_comp_info.bond_count_aromatic
Description	Chemical component aromatic bond count
Type	integer
Minimum Value	0
Maximum Value	116

Identifier Codes - DrugBank

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	DB06830 DB07255

Identifier Codes - CCDC/CSD

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	QAXDEZ XEGJEA

Identifier Codes - COD

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	2236573 7229993

Identifier Codes - RESID

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	AA0078 AA0034

Identifier Codes - PubChem

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	3082729 5289380

Identifier Codes - ChEBI

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	CHEBI:151557 CHEBI:6198

Identifier Codes - ChEMBL

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	CHEMBL1165239 CHEMBL3330255

Identifier Codes - CAS Registry Number

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	2133-34-8 30565-25-4

Identifier Codes - Pharos

Attribute	rcsb_chem_comp_related.resource_accession_code
Description	The resource identifier code for the related chemical reference.
Type	string
Nested Attribute	rcsb_chem_comp_related.resource_name
Nested Attribute Examples	CHEMBL1165239 CHEMBL3330255

Name - RESID Generating Enzyme

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	protein N-terminal methyltransferase (EC 2.1.1.-) autocatalytic

Name - RESID Modification

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	Thyroxine N4-methylasparagine

Name - Carbohydrate Anomer

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	alpha beta

Name - Carbohydrate Isomer

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	D L

Name - Carbohydrate Ring

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	pyranose furanose

Name - Carbohydrate Primary Carbonyl Group

Attribute	rcsb_chem_comp_annotation.name
Description	A name for the annotation.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	aldose ketose

Lineage Name - ATC (WHO)

Attribute	rcsb_chem_comp_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	lisuride etacrynic acid

Lineage Name - PSI-MOD

Attribute	rcsb_chem_comp_annotation.annotation_lineage.name
Description	Members of the annotation lineage as parent class names.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	monomethylated residue alpha-amino monomethylated residue

Lineage Identifier - ATC (WHO)

Attribute	rcsb_chem_comp_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	G02CB02 C03CC01

Lineage Identifier - PSI-MOD

Attribute	rcsb_chem_comp_annotation.annotation_lineage.id
Description	Members of the annotation lineage as parent class identifiers.
Type	string
Nested Attribute	rcsb_chem_comp_annotation.type
Nested Attribute Examples	MOD:00599 MOD:01680

BIRD ID(s)

Attribute	pdbx_reference_molecule.prd_id
Description	The value of _pdbx_reference_molecule.prd_id is the unique identifier for the reference molecule in this family. By convention this ID uniquely identifies the reference molecule in in the PDB reference dictionary. The ID has the template form PRD_dddddd (e.g. PRD_000001)
Type	string
Examples	PRD_000001 PRD_0000010
Iterable	true

BIRD Name

Attribute	pdbx_reference_molecule.name
Description	A name of the entity.
Type	string
Examples	thiostrepton

BIRD Type

Attribute	pdbx_reference_molecule.type
Description	Defines the structural classification of the entity.
Type	string
Enumeration	Amino acid Aminoglycoside Ansamycin Anthracycline Anthraquinone Chalkophore Chalkophore, Polypeptide Chromophore Cyclic depsipeptide Cyclic lipopeptide Cyclic peptide Glycopeptide Heterocyclic Imino sugar Keto acid Lipoglycopeptide Lipopeptide Macrolide Non-polymer Nucleoside Oligopeptide Oligosaccharide Peptaibol Peptide-like Polycyclic Polypeptide Polysaccharide Quinolone Siderophore Thiolactone Thiopeptide Unknown
Examples	Peptide-like Macrolide

BIRD Class

Attribute	pdbx_reference_molecule.class
Description	Broadly defines the function of the entity.
Type	string
Enumeration	Antagonist Anthelmintic Antibiotic Antibiotic, Anthelmintic Antibiotic, Antimicrobial Antibiotic, Antineoplastic Anticancer Anticoagulant Anticoagulant, Antithrombotic Antifungal Antigen Antiinflammatory Antimicrobial Antimicrobial, Antiparasitic, Antibiotic Antimicrobial, Antiretroviral Antimicrobial, Antitumor Antineoplastic Antiparasitic Antiretroviral Antithrombotic Antitumor Antiviral CASPASE inhibitor Chaperone binding Drug delivery Enzyme inhibitor Glycan component Growth factor Immunosuppressant Inducer Inhibitor Lantibiotic Metabolism Metal transport Nutrient Oxidation-reduction Protein binding Receptor Substrate analog Synthetic opioid Thrombin inhibitor Thrombin inhibitor, Trypsin inhibitor Toxin Transition state mimetic Transport activator Trypsin inhibitor Unknown Water retention

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Last updated: Tue May 28 2024

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.

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