""" RCSB Protein Data Bank GraphQL API Schema Endpoint: https://data.rcsb.org/graphql Source: live introspection 2026-06-14 Total user-defined types: 323 (317 objects, 6 scalars) """ scalar Date scalar Float scalar Int scalar String scalar Boolean scalar ObjectScalar """Query root""" type Query { """Get entry given the id.""" entry(entry_id: String!): CoreEntry """Get a list of entries given a list of IDs.""" entries(entry_ids: [String!]!): [CoreEntry] """Get an assembly given the ENTRY ID and ASSEMBLY ID.""" assembly(entry_id: String!, assembly_id: String!): CoreAssembly """Get a list of assemblies given the list of ASSEMBLY IDs.""" assemblies(assembly_ids: [String!]!): [CoreAssembly] """Get a polymer entity, given the ENTRY ID and ENTITY ID.""" polymer_entity(entry_id: String!, entity_id: String!): CorePolymerEntity """Get a list of polymer entities given a list of ENTITY IDs.""" polymer_entities(entity_ids: [String!]!): [CorePolymerEntity] """Get a non-polymer entity, given the ENTRY ID and ENTITY ID.""" nonpolymer_entity(entry_id: String!, entity_id: String!): CoreNonpolymerEntity """Get a list of non-polymer entities given a list of ENTITY IDs.""" nonpolymer_entities(entity_ids: [String!]!): [CoreNonpolymerEntity] """Get a branched entity, given the ENTRY ID and ENTITY ID.""" branched_entity(entry_id: String!, entity_id: String!): CoreBranchedEntity """Get a list of branched entities given a list of ENTITY IDs.""" branched_entities(entity_ids: [String!]!): [CoreBranchedEntity] """Get a polymer entity instance (chain), given the ENTRY ID and ASYM ID.""" polymer_entity_instance(entry_id: String!, asym_id: String!): CorePolymerEntityInstance """Get a list of polymer entity instances (chains), given the list of INSTANCE IDs.""" polymer_entity_instances(instance_ids: [String!]!): [CorePolymerEntityInstance] """Get a non-polymer entity instance (chain), given the ENTRY ID and ASYM ID.""" nonpolymer_entity_instance(entry_id: String!, asym_id: String!): CoreNonpolymerEntityInstance """Get a list of non-polymer entity instances (chains), given the list of INSTANCE IDs.""" nonpolymer_entity_instances(instance_ids: [String!]!): [CoreNonpolymerEntityInstance] """Get a branched entity instance (chain), given the ENTRY ID and ASYM ID.""" branched_entity_instance(entry_id: String!, asym_id: String!): CoreBranchedEntityInstance """Get a list of branched entity instances (chains), given the list of INSTANCE IDs.""" branched_entity_instances(instance_ids: [String!]!): [CoreBranchedEntityInstance] """Get a pairwise polymeric interface given the ENTRY ID, ASSEMBLY ID, and INTERFACE ID.""" interface(entry_id: String!, assembly_id: String!, interface_id: String!): CoreInterface """Get a list of pairwise polymeric interfaces given a list of INTERFACE IDs.""" interfaces(interface_ids: [String!]!): [CoreInterface] """Get a chemical component given the CHEMICAL COMPONENT ID.""" chem_comp(comp_id: String!): CoreChemComp """Get a list of chemical components given the list of CHEMICAL COMPONENT IDs.""" chem_comps(comp_ids: [String!]!): [CoreChemComp] """Get literature information from PubMed database given the PubMed ID.""" pubmed(pubmed_id: Int!): CorePubmed """Get UniProt KB entry given the UniProt primary accession.""" uniprot(uniprot_id: String!): CoreUniprot """Given a group ID get a group object formed by aggregating entries.""" entry_group(group_id: String!): GroupEntry """Given a list of group IDs get a list of group objects formed by aggregating entries.""" entry_groups(group_ids: [String!]!): [GroupEntry] """Given a group ID get a group object formed by aggregating polymer entities.""" polymer_entity_group(group_id: String!): GroupPolymerEntity """Given a list of group IDs get a list of group objects formed by aggregating polymer entities.""" polymer_entity_groups(group_ids: [String!]!): [GroupPolymerEntity] """Given a group ID get a group object formed by aggregating non-polymer entities.""" nonpolymer_entity_group(group_id: String!): GroupNonPolymerEntity """Given a list of group IDs get a list of group objects formed by aggregating non-polymer entities.""" nonpolymer_entity_groups(group_ids: [String!]!): [GroupNonPolymerEntity] """Given a group provenance ID get an object that describes aggregation methodology.""" group_provenance(group_provenance_id: String!): GroupProvenance } """Core PDB entry (structure) — top-level container for all data associated with a deposited structure.""" type CoreEntry { rcsb_id: String entry: Entry cell: Cell symmetry: Symmetry struct: Struct struct_keywords: StructKeywords exptl: [Exptl] exptl_crystal: [ExptlCrystal] exptl_crystal_grow: [ExptlCrystalGrow] refine: [Refine] refine_analyze: [RefineAnalyze] refine_hist: [RefineHist] refine_ls_restr: [RefineLsRestr] reflns: [Reflns] reflns_shell: [ReflnsShell] diffrn: [Diffrn] diffrn_detector: [DiffrnDetector] diffrn_radiation: [DiffrnRadiation] diffrn_source: [DiffrnSource] citation: [Citation] audit_author: [AuditAuthor] database_2: [Database2] software: [Software] struct_asym: [StructAsym] assemblies: [CoreAssembly] nonpolymer_entities: [CoreNonpolymerEntity] branched_entities: [CoreBranchedEntity] entry_groups: [GroupEntry] em_experiment: EmExperiment em_2d_crystal_entity: [Em2dCrystalEntity] em_3d_crystal_entity: [Em3dCrystalEntity] em_3d_fitting: [Em3dFitting] em_3d_fitting_list: [Em3dFittingList] em_3d_reconstruction: [Em3dReconstruction] em_ctf_correction: [EmCtfCorrection] em_diffraction: [EmDiffraction] em_diffraction_shell: [EmDiffractionShell] em_diffraction_stats: [EmDiffractionStats] em_embedding: [EmEmbedding] em_entity_assembly: [EmEntityAssembly] em_helical_entity: [EmHelicalEntity] em_image_recording: [EmImageRecording] em_imaging: [EmImaging] em_particle_selection: [EmParticleSelection] em_single_particle_entity: [EmSingleParticleEntity] em_software: [EmSoftware] em_specimen: [EmSpecimen] em_staining: [EmStaining] em_vitrification: [EmVitrification] pdbx_audit_revision_history: [PdbxAuditRevisionHistory] pdbx_audit_revision_category: [PdbxAuditRevisionCategory] pdbx_audit_revision_details: [PdbxAuditRevisionDetails] pdbx_audit_revision_group: [PdbxAuditRevisionGroup] pdbx_audit_revision_item: [PdbxAuditRevisionItem] pdbx_audit_support: [PdbxAuditSupport] pdbx_database_PDB_obs_spr: [PdbxDatabasePDBObsSpr] pdbx_database_related: [PdbxDatabaseRelated] pdbx_database_status: PdbxDatabaseStatus pdbx_deposit_group: [PdbxDepositGroup] pdbx_nmr_details: PdbxNmrDetails pdbx_nmr_ensemble: PdbxNmrEnsemble pdbx_nmr_exptl: [PdbxNmrExptl] pdbx_nmr_exptl_sample_conditions: [PdbxNmrExptlSampleConditions] pdbx_nmr_refine: [PdbxNmrRefine] pdbx_nmr_representative: PdbxNmrRepresentative pdbx_nmr_sample_details: [PdbxNmrSampleDetails] pdbx_nmr_software: [PdbxNmrSoftware] pdbx_nmr_spectrometer: [PdbxNmrSpectrometer] pdbx_reflns_twin: [PdbxReflnsTwin] pdbx_related_exp_data_set: [PdbxRelatedExpDataSet] pdbx_SG_project: [PdbxSGProject] pdbx_serial_crystallography_data_reduction: [PdbxSerialCrystallographyDataReduction] pdbx_serial_crystallography_measurement: [PdbxSerialCrystallographyMeasurement] pdbx_serial_crystallography_sample_delivery: [PdbxSerialCrystallographySampleDelivery] pdbx_serial_crystallography_sample_delivery_fixed_target: [PdbxSerialCrystallographySampleDeliveryFixedTarget] pdbx_serial_crystallography_sample_delivery_injection: [PdbxSerialCrystallographySampleDeliveryInjection] pdbx_soln_scatter: [PdbxSolnScatter] pdbx_soln_scatter_model: [PdbxSolnScatterModel] pdbx_struct_assembly: [PdbxStructAssembly] pdbx_struct_assembly_auth_evidence: [PdbxStructAssemblyAuthEvidence] pdbx_struct_assembly_gen: [PdbxStructAssemblyGen] pdbx_struct_assembly_prop: [PdbxStructAssemblyProp] pdbx_struct_oper_list: [PdbxStructOperList] pdbx_struct_special_symmetry: [PdbxStructSpecialSymmetry] pdbx_vrpt_summary: PdbxVrptSummary pdbx_vrpt_summary_diffraction: [PdbxVrptSummaryDiffraction] pdbx_vrpt_summary_em: [PdbxVrptSummaryEm] pdbx_vrpt_summary_entity_fit_to_map: [PdbxVrptSummaryEntityFitToMap] pdbx_vrpt_summary_entity_geometry: [PdbxVrptSummaryEntityGeometry] pdbx_vrpt_summary_geometry: [PdbxVrptSummaryGeometry] pdbx_vrpt_summary_nmr: [PdbxVrptSummaryNmr] pdbx_initial_refinement_model: [PdbxInitialRefinementModel] ihm_entry_collection_mapping: [IhmEntryCollectionMapping] ihm_external_reference_info: [IhmExternalReferenceInfo] rcsb_entry_container_identifiers: RcsbEntryContainerIdentifiers rcsb_entry_info: RcsbEntryInfo rcsb_entry_group_membership: [RcsbEntryGroupMembership] rcsb_accession_info: RcsbAccessionInfo rcsb_external_references: [RcsbExternalReferences] rcsb_latest_revision: RcsbLatestRevision rcsb_primary_citation: RcsbPrimaryCitation rcsb_struct_symmetry: [RcsbStructSymmetry] rcsb_binding_affinity: [RcsbBindingAffinity] rcsb_entry_info_diffrn_resolution_high: RcsbEntryInfoDiffrnResolutionHigh rcsb_related_target_references: [RcsbRelatedTargetReferences] ma_data: [MaData] } """Polymer entity — protein, DNA, RNA, or other polymer chain.""" type CorePolymerEntity { rcsb_id: String entity_poly: EntityPoly entity_src_gen: [EntitySrcGen] entity_src_nat: [EntitySrcNat] pdbx_entity_src_syn: [PdbxEntitySrcSyn] pfams: [CorePfam] polymer_entity_instances: [CorePolymerEntityInstance] polymer_entity_groups: [GroupPolymerEntity] entry: CoreEntry chem_comp_monomers: [CoreChemComp] chem_comp_nstd_monomers: [CoreChemComp] prd: CoreChemComp rcsb_cluster_flexibility: [RcsbClusterFlexibility] rcsb_cluster_membership: [RcsbClusterMembership] rcsb_entity_host_organism: [RcsbEntityHostOrganism] rcsb_entity_source_organism: [RcsbEntitySourceOrganism] rcsb_genomic_lineage: [RcsbGenomicLineage] rcsb_latest_revision: RcsbLatestRevision rcsb_membrane_lineage: [RcsbMembraneLineage] rcsb_polymer_entity: RcsbPolymerEntity rcsb_polymer_entity_align: [RcsbPolymerEntityAlign] rcsb_polymer_entity_annotation: [RcsbPolymerEntityAnnotation] rcsb_polymer_entity_container_identifiers: RcsbPolymerEntityContainerIdentifiers rcsb_polymer_entity_feature: [RcsbPolymerEntityFeature] rcsb_polymer_entity_feature_summary: [RcsbPolymerEntityFeatureSummary] rcsb_polymer_entity_group_membership: [RcsbPolymerEntityGroupMembership] rcsb_polymer_entity_keywords: RcsbPolymerEntityKeywords rcsb_polymer_entity_name_com: [RcsbPolymerEntityNameCom] rcsb_polymer_entity_name_sys: [RcsbPolymerEntityNameSys] rcsb_related_target_references: [RcsbRelatedTargetReferences] rcsb_target_cofactors: [RcsbTargetCofactors] rcsb_uniprot_alignments: RcsbUniprotAlignments uniprots: [CoreUniprot] } """Non-polymer entity — small molecule ligand.""" type CoreNonpolymerEntity { rcsb_id: String pdbx_entity_nonpoly: PdbxEntityNonpoly nonpolymer_entity_instances: [CoreNonpolymerEntityInstance] entry: CoreEntry chem_comp: CoreChemComp rcsb_nonpolymer_entity: RcsbNonpolymerEntity rcsb_nonpolymer_entity_annotation: [RcsbNonpolymerEntityAnnotation] rcsb_nonpolymer_entity_container_identifiers: RcsbNonpolymerEntityContainerIdentifiers rcsb_nonpolymer_entity_feature: [RcsbNonpolymerEntityFeature] rcsb_nonpolymer_entity_feature_summary: [RcsbNonpolymerEntityFeatureSummary] rcsb_nonpolymer_entity_keywords: RcsbNonpolymerEntityKeywords rcsb_nonpolymer_entity_name_com: [RcsbNonpolymerEntityNameCom] rcsb_latest_revision: RcsbLatestRevision rcsb_related_target_references: [RcsbRelatedTargetReferences] rcsb_target_cofactors: [RcsbTargetCofactors] rcsb_target_neighbors: [RcsbTargetNeighbors] rcsb_binding_affinity: [RcsbBindingAffinity] } """Branched entity — oligosaccharide or other branched polymer.""" type CoreBranchedEntity { rcsb_id: String pdbx_entity_branch: PdbxEntityBranch pdbx_entity_branch_descriptor: [PdbxEntityBranchDescriptor] branched_entity_instances: [CoreBranchedEntityInstance] entry: CoreEntry chem_comp_monomers: [CoreChemComp] rcsb_branched_entity: RcsbBranchedEntity rcsb_branched_entity_annotation: [RcsbBranchedEntityAnnotation] rcsb_branched_entity_container_identifiers: RcsbBranchedEntityContainerIdentifiers rcsb_branched_entity_feature: [RcsbBranchedEntityFeature] rcsb_branched_entity_feature_summary: [RcsbBranchedEntityFeatureSummary] rcsb_branched_entity_keywords: RcsbBranchedEntityKeywords rcsb_branched_entity_name_com: [RcsbBranchedEntityNameCom] rcsb_branched_entity_name_sys: [RcsbBranchedEntityNameSys] rcsb_latest_revision: RcsbLatestRevision } """Assembly — biologically relevant quaternary structure.""" type CoreAssembly { rcsb_id: String pdbx_struct_assembly: PdbxStructAssembly pdbx_struct_assembly_auth_evidence: [PdbxStructAssemblyAuthEvidence] pdbx_struct_assembly_gen: [PdbxStructAssemblyGen] pdbx_struct_assembly_prop: [PdbxStructAssemblyProp] pdbx_struct_oper_list: [PdbxStructOperList] interfaces: [CoreInterface] entry: CoreEntry rcsb_assembly_annotation: [RcsbAssemblyAnnotation] rcsb_assembly_container_identifiers: RcsbAssemblyContainerIdentifiers rcsb_assembly_feature: [RcsbAssemblyFeature] rcsb_assembly_info: RcsbAssemblyInfo rcsb_latest_revision: RcsbLatestRevision rcsb_struct_symmetry: [RcsbStructSymmetry] rcsb_struct_symmetry_lineage: [RcsbStructSymmetryLineage] } """Polymer entity instance — a single chain in the asymmetric unit.""" type CorePolymerEntityInstance { rcsb_id: String polymer_entity: CorePolymerEntity entry: CoreEntry rcsb_polymer_entity_instance_container_identifiers: RcsbPolymerEntityInstanceContainerIdentifiers rcsb_polymer_instance_annotation: [RcsbPolymerInstanceAnnotation] rcsb_polymer_instance_feature: [RcsbPolymerInstanceFeature] rcsb_polymer_instance_feature_summary: [RcsbPolymerInstanceFeatureSummary] rcsb_polymer_instance_info: RcsbPolymerInstanceInfo rcsb_polymer_struct_conn: [RcsbPolymerStructConn] rcsb_latest_revision: RcsbLatestRevision rcsb_ligand_neighbors: [RcsbLigandNeighbors] rcsb_target_neighbors: [RcsbTargetNeighbors] } """Non-polymer entity instance — ligand chain in the asymmetric unit.""" type CoreNonpolymerEntityInstance { rcsb_id: String nonpolymer_entity: CoreNonpolymerEntity entry: CoreEntry rcsb_nonpolymer_entity_instance_container_identifiers: RcsbNonpolymerEntityInstanceContainerIdentifiers rcsb_nonpolymer_instance_annotation: [RcsbNonpolymerInstanceAnnotation] rcsb_nonpolymer_instance_feature: [RcsbNonpolymerInstanceFeature] rcsb_nonpolymer_instance_feature_summary: [RcsbNonpolymerInstanceFeatureSummary] rcsb_nonpolymer_instance_validation_score: [RcsbNonpolymerInstanceValidationScore] rcsb_nonpolymer_struct_conn: [RcsbNonpolymerStructConn] rcsb_latest_revision: RcsbLatestRevision rcsb_ligand_neighbors: [RcsbLigandNeighbors] } """Branched entity instance — oligosaccharide chain in the asymmetric unit.""" type CoreBranchedEntityInstance { rcsb_id: String branched_entity: CoreBranchedEntity entry: CoreEntry rcsb_branched_entity_instance_container_identifiers: RcsbBranchedEntityInstanceContainerIdentifiers rcsb_branched_instance_annotation: [RcsbBranchedInstanceAnnotation] rcsb_branched_instance_feature: [RcsbBranchedInstanceFeature] rcsb_branched_instance_feature_summary: [RcsbBranchedInstanceFeatureSummary] rcsb_branched_struct_conn: [RcsbBranchedStructConn] rcsb_latest_revision: RcsbLatestRevision } """Pairwise polymeric interface within an assembly.""" type CoreInterface { rcsb_id: String entry: CoreEntry assembly: CoreAssembly rcsb_interface_container_identifiers: RcsbInterfaceContainerIdentifiers rcsb_interface_info: RcsbInterfaceInfo rcsb_interface_partner: [RcsbInterfacePartner] rcsb_latest_revision: RcsbLatestRevision } """Chemical component — small molecule or monomer definition.""" type CoreChemComp { rcsb_id: String chem_comp: ChemComp drugbank: CoreDrugbank pdbx_chem_comp_audit: [PdbxChemCompAudit] pdbx_chem_comp_descriptor: [PdbxChemCompDescriptor] pdbx_chem_comp_feature: [PdbxChemCompFeature] pdbx_chem_comp_identifier: [PdbxChemCompIdentifier] pdbx_family_prd_audit: [PdbxFamilyPrdAudit] pdbx_molecule_features: PdbxMoleculeFeatures pdbx_prd_audit: [PdbxPrdAudit] pdbx_reference_entity_list: [PdbxReferenceEntityList] pdbx_reference_entity_poly: [PdbxReferenceEntityPoly] pdbx_reference_entity_poly_link: [PdbxReferenceEntityPolyLink] pdbx_reference_entity_poly_seq: [PdbxReferenceEntityPolySeq] pdbx_reference_entity_sequence: [PdbxReferenceEntitySequence] pdbx_reference_entity_src_nat: [PdbxReferenceEntitySrcNat] pdbx_reference_molecule: PdbxReferenceMolecule pdbx_reference_molecule_annotation: [PdbxReferenceMoleculeAnnotation] pdbx_reference_molecule_details: [PdbxReferenceMoleculeDetails] pdbx_reference_molecule_family: PdbxReferenceMoleculeFamily pdbx_reference_molecule_features: [PdbxReferenceMoleculeFeatures] pdbx_reference_molecule_list: [PdbxReferenceMoleculeList] pdbx_reference_molecule_related_structures: [PdbxReferenceMoleculeRelatedStructures] pdbx_reference_molecule_synonyms: [PdbxReferenceMoleculeSynonyms] rcsb_bird_citation: [RcsbBirdCitation] rcsb_chem_comp_annotation: [RcsbChemCompAnnotation] rcsb_chem_comp_container_identifiers: RcsbChemCompContainerIdentifiers rcsb_chem_comp_descriptor: RcsbChemCompDescriptor rcsb_chem_comp_info: RcsbChemCompInfo rcsb_chem_comp_related: [RcsbChemCompRelated] rcsb_chem_comp_synonyms: [RcsbChemCompSynonyms] rcsb_chem_comp_target: [RcsbChemCompTarget] rcsb_schema_container_identifiers: [RcsbSchemaContainerIdentifiers] } """PubMed literature record linked to a PDB entry.""" type CorePubmed { rcsb_id: String rcsb_pubmed_container_identifiers: RcsbPubmedContainerIdentifiers rcsb_pubmed_mesh_descriptors_lineage: [RcsbPubmedMeshDescriptorsLineage] } """UniProt KB record linked to a polymer entity.""" type CoreUniprot { rcsb_id: String rcsb_uniprot_alignments: RcsbUniprotAlignments rcsb_uniprot_annotation: [RcsbUniprotAnnotation] rcsb_uniprot_container_identifiers: RcsbUniprotContainerIdentifiers rcsb_uniprot_external_reference: [RcsbUniprotExternalReference] rcsb_uniprot_feature: [RcsbUniprotFeature] rcsb_uniprot_keyword: [RcsbUniprotKeyword] rcsb_uniprot_protein: RcsbUniprotProtein } """DrugBank annotation for a chemical component.""" type CoreDrugbank { drugbank_container_identifiers: DrugbankContainerIdentifiers drugbank_info: DrugbankInfo drugbank_target: [DrugbankTarget] } """PFAM domain annotation for a polymer entity.""" type CorePfam { rcsb_pfam_container_identifiers: RcsbPfamContainerIdentifiers } """Group of entries aggregated by a shared property.""" type GroupEntry { rcsb_id: String rcsb_group_accession_info: RcsbGroupAccessionInfo rcsb_group_aggregation_method: [RcsbGroupAggregationMethod] rcsb_group_container_identifiers: RcsbGroupContainerIdentifiers rcsb_group_info: RcsbGroupInfo rcsb_group_related: [RcsbGroupRelated] rcsb_group_statistics: RcsbGroupStatistics } """Group of polymer entities aggregated by sequence identity.""" type GroupPolymerEntity { rcsb_id: String rcsb_group_accession_info: RcsbGroupAccessionInfo rcsb_group_aggregation_method: [RcsbGroupAggregationMethod] rcsb_group_container_identifiers: RcsbGroupContainerIdentifiers rcsb_group_info: RcsbGroupInfo rcsb_group_related: [RcsbGroupRelated] rcsb_group_statistics: RcsbGroupStatistics rcsb_polymer_entity_group_members_rankings: [RcsbPolymerEntityGroupMembersRankings] rcsb_polymer_entity_group_sequence_alignment: [RcsbPolymerEntityGroupSequenceAlignment] } """Group of non-polymer entities aggregated by shared property.""" type GroupNonPolymerEntity { rcsb_id: String rcsb_group_accession_info: RcsbGroupAccessionInfo rcsb_group_aggregation_method: [RcsbGroupAggregationMethod] rcsb_group_container_identifiers: RcsbGroupContainerIdentifiers rcsb_group_info: RcsbGroupInfo rcsb_group_related: [RcsbGroupRelated] rcsb_group_statistics: RcsbGroupStatistics } """Aggregation method provenance descriptor.""" type GroupProvenance { rcsb_id: String rcsb_group_provenance_container_identifiers: RcsbGroupProvenanceContainerIdentifiers } # ── mmCIF Data Types ────────────────────────────────────────────────────────── type Entry { id: String } type Cell { angle_alpha: Float angle_beta: Float angle_gamma: Float length_a: Float length_b: Float length_c: Float pdbx_unique_axis: String volume: Float Z_PDB: Int } type Symmetry { cell_setting: String Int_Tables_number: Int space_group_name_H_M: String space_group_name_Hall: String pdbx_full_space_group_name_H_M: String } type Struct { entry_id: String pdbx_CASP_flag: String pdbx_descriptor: String pdbx_model_details: String pdbx_model_type_details: String title: String } type StructKeywords { entry_id: String pdbx_keywords: String text: String } type Exptl { entry_id: String crystals_number: Int details: String method: String method_details: String } type ExptlCrystal { id: String colour: String density_Matthews: Float density_meas: Float density_percent_sol: Float description: String F_000: Float pdbx_mosaicity: Float pdbx_mosaicity_esd: Float preparation: String size_max: Float size_mid: Float size_min: Float size_rad: Float } type ExptlCrystalGrow { crystal_id: String details: String method: String method_ref: String pH: Float pdbx_atm_pressure: Float pdbx_details: String pdbx_pH_range: String temp: Float temp_details: String time: String } type Refine { entry_id: String B_iso_mean: Float correlation_coeff_Fo_to_Fc: Float correlation_coeff_Fo_to_Fc_free: Float details: String ls_d_res_high: Float ls_d_res_low: Float ls_number_reflns_obs: Int ls_R_factor_obs: Float ls_R_factor_R_free: Float ls_R_factor_R_free_error: Float ls_R_factor_R_work: Float ls_rfactor_obs: Float pdbx_method_to_determine_struct: String pdbx_refine_id: String pdbx_solvent_ion_probe_radii: Float pdbx_solvent_shrink_radii: Float pdbx_solvent_vdw_probe_radii: Float pdbx_stereochem_target_val_spec_case: String pdbx_TLS_residual_ADP_flag: String solvent_model_details: String } type RefineAnalyze { entry_id: String pdbx_refine_id: String Luzzati_coordinate_error_obs: Float number_disordered_residues: Float } type RefineHist { cycle_id: String entry_id: String pdbx_refine_id: String pdbx_number_atoms_protein: Int pdbx_number_atoms_ligand: Int pdbx_number_atoms_nucleic_acid: Int pdbx_number_atoms_solvent: Int pdbx_number_atoms_total: Int pdbx_number_residues_total: Int } type RefineLsRestr { criterion: Float dev_ideal: Float dev_ideal_target: Float entry_id: String number: Int pdbx_refine_id: String pdbx_restraint_function: String type: String weight: Float } type Reflns { B_iso_Wilson_estimate: Float d_resolution_high: Float d_resolution_low: Float entry_id: String limit_h_max: Int limit_h_min: Int limit_k_max: Int limit_k_min: Int limit_l_max: Int limit_l_min: Int number_obs: Int observed_criterion_sigma_F: Float observed_criterion_sigma_I: Float pdbx_CC_half: Float pdbx_net_I_over_sigma_I: Float pdbx_number_measured_all: Int pdbx_ordinal: Int pdbx_Rmerge_I_obs: Float pdbx_Rsym_value: Float pdbx_redundancy: Float pdbx_scaling_rejects: Int percent_possible_obs: Float R_free_details: String Rmerge_F_obs: Float Rmerge_I_obs: Float } type ReflnsShell { d_res_high: Float d_res_low: Float entry_id: String meanI_over_sigI_obs: Float number_measured_obs: Int number_possible: Int number_unique_all: Int number_unique_obs: Int pdbx_CC_half: Float pdbx_ordinal: Int pdbx_Rmerge_I_obs: Float pdbx_Rsym_value: Float pdbx_redundancy: Float percent_possible_all: Float percent_possible_obs: Float Rmerge_I_obs: Float } type Diffrn { ambient_temp: Float ambient_temp_details: String crystal_id: String details: String id: String pdbx_monochromatic_or_laue_m_l: String pdbx_serial_crystal_experiment: String pdbx_vitrification_details: String scattering_type: String } type DiffrnDetector { details: String detector: String diffrn_id: String pdbx_collection_date: Date pdbx_frequency: Float type: String } type DiffrnRadiation { diffrn_id: String monochromator: String pdbx_diffrn_protocol: String pdbx_monochromatic_or_laue_m_l: String pdbx_scattering_type: String pdbx_wavelength: String pdbx_wavelength_list: String type: String wavelength_id: String } type DiffrnSource { current_ma: Float details: String diffrn_id: String pdbx_synchrotron_beamline: String pdbx_synchrotron_site: String pdbx_wavelength: String pdbx_wavelength_list: String power_kw: Float source: String target: String type: String voltage_kv: Float } type Citation { book_id_ISBN: String book_publisher: String book_publisher_city: String book_title: String coordinate_linkage: String country: String details: String id: String journal_abbrev: String journal_full: String journal_id_ASTM: String journal_id_CSD: Int journal_id_ISSN: String journal_volume: String language: String page_first: String page_last: String pdbx_database_id_DOI: String pdbx_database_id_PubMed: Int rcsb_authors: [String] rcsb_is_primary: String rcsb_journal_abbrev: String title: String year: Int } type AuditAuthor { identifier_ORCID: String name: String pdbx_ordinal: Int } type Database2 { database_code: String database_id: String pdbx_database_accession: String pdbx_DOI: String } type Software { classification: String contact_author: String contact_author_email: String date: String description: String language: String location: String name: String os: String pdbx_ordinal: Int type: String version: String } type StructAsym { details: String entity_id: String id: String pdbx_blank_PDB_chainid_flag: String pdbx_modified: String } type EntityPoly { entity_id: String nstd_linkage: String nstd_monomer: String pdbx_build_details: String pdbx_seq_one_letter_code: String pdbx_seq_one_letter_code_can: String pdbx_seq_one_letter_code_sample: String pdbx_sequence_evidence_code: String pdbx_strand_id: String pdbx_target_identifier: String rcsb_artifact_monomer_count: Int rcsb_conflict_count: Int rcsb_deletion_count: Int rcsb_entity_polymer_type: String rcsb_insertion_count: Int rcsb_mutation_count: Int rcsb_non_std_monomer_count: Int rcsb_non_std_monomers: [String] rcsb_prd_id: String rcsb_sample_sequence_length: Int rcsb_seq_one_letter_code_sample: String type: String } type EntitySrcGen { entity_id: String expression_system_id: String gene_src_common_name: String gene_src_details: String gene_src_genus: String gene_src_species: String gene_src_strain: String gene_src_tissue: String host_org_common_name: String host_org_genus: String host_org_species: String pdbx_alt_source_flag: String pdbx_beg_seq_num: Int pdbx_end_seq_num: Int pdbx_gene_src_atcc: String pdbx_gene_src_cell: String pdbx_gene_src_cell_line: String pdbx_gene_src_cellular_location: String pdbx_gene_src_fragment: String pdbx_gene_src_gene: String pdbx_gene_src_ncbi_taxonomy_id: String pdbx_gene_src_organ: String pdbx_gene_src_organelle: String pdbx_gene_src_plasmid: String pdbx_gene_src_plasmid_name: String pdbx_gene_src_scientific_name: String pdbx_gene_src_tissue_fraction: String pdbx_host_org_atcc: String pdbx_host_org_cell: String pdbx_host_org_cell_line: String pdbx_host_org_cellular_location: String pdbx_host_org_culture_collection: String pdbx_host_org_gene: String pdbx_host_org_ncbi_taxonomy_id: String pdbx_host_org_organ: String pdbx_host_org_organelle: String pdbx_host_org_plasmid: String pdbx_host_org_plasmid_name: String pdbx_host_org_scientific_name: String pdbx_host_org_strain: String pdbx_host_org_tissue: String pdbx_host_org_tissue_fraction: String pdbx_host_org_vector: String pdbx_host_org_vector_type: String pdbx_seq_type: String pdbx_src_id: Int } type EntitySrcNat { common_name: String entity_id: String genus: String pdbx_alt_source_flag: String pdbx_atcc: String pdbx_beg_seq_num: Int pdbx_cell: String pdbx_cell_line: String pdbx_cellular_location: String pdbx_end_seq_num: Int pdbx_fragment: String pdbx_ncbi_taxonomy_id: String pdbx_organ: String pdbx_organelle: String pdbx_organism_scientific: String pdbx_plasmid_details: String pdbx_plasmid_name: String pdbx_secretion: String pdbx_src_id: Int pdbx_tissue: String pdbx_tissue_fraction: String species: String strain: String tissue: String } type PdbxEntitySrcSyn { details: String entity_id: String ncbi_taxonomy_id: String organism_common_name: String organism_scientific: String pdbx_alt_source_flag: String pdbx_beg_seq_num: Int pdbx_end_seq_num: Int pdbx_src_id: Int strain: String } type PdbxEntityBranch { entity_id: String; type: String } type PdbxEntityBranchDescriptor { entity_id: String; descriptor: String; type: String; program: String; program_version: String; ordinal: Int } type PdbxEntityNonpoly { comp_id: String; entity_id: String; name: String; rcsb_prd_id: String } type ChemComp { formula: String formula_weight: Float id: String model_details: String model_erf: String model_source: String mon_nstd_class: String mon_nstd_details: String mon_nstd_flag: String mon_nstd_parent_comp_id: [String] name: String one_letter_code: String pdbx_ambiguous_flag: String pdbx_formal_charge: Int pdbx_ideal_coordinates_details: String pdbx_ideal_coordinates_missing_flag: String pdbx_initial_date: Date pdbx_model_coordinates_db_code: String pdbx_model_coordinates_details: String pdbx_model_coordinates_missing_flag: String pdbx_modified_date: Date pdbx_release_status: String pdbx_replaced_by: String pdbx_replaces: String pdbx_processing_site: String pdbx_subcomponent_list: String pdbx_synonyms: String three_letter_code: String type: String } # ── EM (cryo-EM) types ──────────────────────────────────────────────────────── type EmExperiment { entry_id: String; aggregation_state: String; entity_assembly_id: String; id: String; reconstruction_method: String } type Em2dCrystalEntity { entry_id: String; id: String; image_processing_id: String; angle_gamma: Float; c_sampling_length: Float; length_a: Float; length_b: Float; space_group_name_H_M: String } type Em3dCrystalEntity { entry_id: String; id: String; angle_alpha: Float; angle_beta: Float; angle_gamma: Float; length_a: Float; length_b: Float; length_c: Float; space_group_name: String } type Em3dFitting { entry_id: String; id: String; details: String; method: String; overall_b_value: Float; ref_protocol: String; ref_space: String; target_criteria: String } type Em3dFittingList { id: String; _3d_fitting_id: String; pdb_chain_id: String; pdb_chain_residue_range: String; pdb_entry_id: String; type: String } type Em3dReconstruction { entry_id: String; id: String; algorithm: String; actual_pixel_size: Float; magnification_calibration: String; method: String; nominal_pixel_size: Float; num_class_averages: Int; num_particles: Int; point_symmetry: String; refinement_type: String; resolution: Float; resolution_method: String } type EmCtfCorrection { entry_id: String; id: String; em_image_processing_id: String; details: String; type: String } type EmDiffraction { entry_id: String; id: String; imaging_id: String; tilt_angle_list: String } type EmDiffractionShell { em_diffraction_stats_id: String; fourier_space_coverage: Float; high_resolution: Float; id: String; low_resolution: Float; multiplicity: Float; num_structure_factors: Int; phase_residual: Float } type EmDiffractionStats { entry_id: String; id: String; image_processing_id: String; details: String; fourier_space_coverage: Float; high_resolution: Float; num_intensities_measured: Int; num_structure_factors: Int; overall_phase_error: Float; overall_phase_residual: Float; phase_error_rejection_criteria: String; r_merge: Float; r_sym: Float } type EmEmbedding { entry_id: String; id: String; specimen_id: String; details: String; material: String } type EmEntityAssembly { entry_id: String; id: String; ihmm_model_id_list: [Int]; name: String; parent_id: Int; source: String; synonym: String; type: String } type EmHelicalEntity { entry_id: String; id: String; image_processing_id: String; angular_rotation_per_subunit: Float; axial_rise_per_subunit: Float; axial_symmetry: String; details: String } type EmImageRecording { entry_id: String; id: String; imaging_id: String; average_exposure_time: Float; avg_electron_dose_per_image: Float; detector_mode: String; details: String; film_or_detector_model: String; num_diffraction_images: Int; num_grids_imaged: Int; num_real_images: Int } type EmImaging { entry_id: String; id: String; accelerating_voltage: Int; alignment_procedure: String; astigmatism: String; citation_id: String; c2_aperture_diameter: Float; calibrated_defocus_max: Float; calibrated_defocus_min: Float; calibrated_magnification: Int; cryogen: String; date: Date; detector_distance: Float; details: String; electron_beam_tilt_params: String; electron_source: String; energy_filter: String; energy_window: String; illumination_mode: String; microscope_model: String; mode: String; nominal_cs: Float; nominal_defocus_max: Float; nominal_defocus_min: Float; nominal_magnification: Int; recording_temperature_maximum: Float; recording_temperature_minimum: Float; residual_tilt: Float; sample_support_details: String; scans_id: String; specimen_holder_model: String; specimen_holder_type: String; temperature: Float; tilt_angle_max: Float; tilt_angle_min: Float } type EmParticleSelection { entry_id: String; id: String; image_processing_id: String; details: String; num_particles_selected: Int } type EmSingleParticleEntity { entry_id: String; id: String; image_processing_id: String; point_symmetry: String } type EmSoftware { entry_id: String; id: String; category: String; details: String; fitting_id: String; image_processing_id: String; name: String; version: String } type EmSpecimen { entry_id: String; id: String; concentration: Float; details: String; embedding_applied: String; shadowing_applied: String; staining_applied: String; vitrification_applied: String } type EmStaining { entry_id: String; id: String; specimen_id: String; details: String; material: String; type: String } type EmVitrification { entry_id: String; id: String; specimen_id: String; chamber_humidity: Float; chamber_temperature: Float; cryogen_name: String; details: String; instrument: String; method: String; temp: Float; time_resolved_state: String } # ── NMR types ───────────────────────────────────────────────────────────────── type PdbxNmrDetails { entry_id: String; text: String } type PdbxNmrEnsemble { entry_id: String; average_constraint_violations_per_residue: Int; average_constraints_per_residue: Int; average_distance_constraint_violation: Float; average_torsion_angle_constraint_violation: Float; conformer_selection_criteria: String; maximum_distance_constraint_violation: Float; maximum_lower_distance_constraint_violation: Float; maximum_torsion_angle_constraint_violation: Float; maximum_upper_distance_constraint_violation: Float; nstruct: Int } type PdbxNmrExptl { entry_id: String; conditions_id: String; experiment_id: String; solution_id: String; spectrometer_id: Int; type: String } type PdbxNmrExptlSampleConditions { entry_id: String; conditions_id: String; details: String; ionic_strength: String; ionic_strength_err: Float; ionic_strength_units: String; label: String; pH: Float; pH_err: Float; pH_units: String; pressure: String; pressure_err: Float; pressure_units: String; temperature: Float; temperature_err: Float; temperature_units: String } type PdbxNmrRefine { entry_id: String; details: String; method: String; software_ordinal: Int } type PdbxNmrRepresentative { entry_id: String; conformer_id: String; selection_criteria: String } type PdbxNmrSampleDetails { entry_id: String; solution_id: String; contents: String; details: String; label: String; solvent_system: String; type: String } type PdbxNmrSoftware { entry_id: String; authors: String; classification: String; name: String; ordinal: Int; version: String } type PdbxNmrSpectrometer { entry_id: String; id: String; details: String; field_strength: Float; manufacturer: String; model: String; type: String } # ── Audit / Revision History ────────────────────────────────────────────────── type PdbxAuditRevisionHistory { data_content_type: String; major_revision: Int; minor_revision: Int; ordinal: Int; revision_date: Date } type PdbxAuditRevisionCategory { data_content_type: String; category: String; ordinal: Int; revision_ordinal: Int } type PdbxAuditRevisionDetails { data_content_type: String; description: String; details: String; ordinal: Int; provider: String; revision_ordinal: Int; type: String } type PdbxAuditRevisionGroup { data_content_type: String; group: String; ordinal: Int; revision_ordinal: Int } type PdbxAuditRevisionItem { data_content_type: String; item: String; ordinal: Int; revision_ordinal: Int } type PdbxAuditSupport { funding_organization: String; country: String; grant_number: String; ordinal: Int } # ── Database / Status ───────────────────────────────────────────────────────── type PdbxDatabasePDBObsSpr { date: Date; details: String; id: String; pdb_id: String; replace_pdb_id: String } type PdbxDatabaseRelated { content_type: String; db_id: String; db_name: String; details: String } type PdbxDatabaseStatus { deposit_site: String; entry_id: String; process_site: String; recvd_initial_deposition_date: Date; status_code: String; status_code_cs: String; status_code_mr: String; status_code_sf: String } type PdbxDepositGroup { group_description: String; group_id: String; group_title: String; group_type: String; ordinal: Int } # ── Assembly / Struct Oper ──────────────────────────────────────────────────── type PdbxStructAssembly { details: String; entry_id: String; id: String; method_details: String; oligomeric_count: Int; oligomeric_details: String; rcsb_candidate_assembly: String; rcsb_details: String } type PdbxStructAssemblyAuthEvidence { assembly_id: String; details: String; entry_id: String; experimental_support: String; id: String } type PdbxStructAssemblyGen { assembly_id: String; asym_id_list: [String]; entry_id: String; oper_expression: String; ordinal: Int } type PdbxStructAssemblyProp { assembly_id: String; entry_id: String; type: String; value: String } type PdbxStructOperList { entry_id: String; id: String; matrix_1_1: Float; matrix_1_2: Float; matrix_1_3: Float; matrix_2_1: Float; matrix_2_2: Float; matrix_2_3: Float; matrix_3_1: Float; matrix_3_2: Float; matrix_3_3: Float; name: String; symmetry_operation: String; type: String; vector_1: Float; vector_2: Float; vector_3: Float } type PdbxStructSpecialSymmetry { entry_id: String; id: String; auth_asym_id: String; auth_seq_id: String; pdb_ins_code: String; reason_for_special_position: String } # ── Validation Report ───────────────────────────────────────────────────────── type PdbxVrptSummary { entry_id: String; angles_RMSZ: Float; bonds_RMSZ: Float; clashscore: Float; clashscore_full_length: Float; pdbx_vrpt_software_version: String; percent_ramachandran_outliers: Float; percent_ramachandran_outliers_full_length: Float; percent_rotamer_outliers: Float; percent_rotamer_outliers_full_length: Float; protein_DNA_RNA_entities: Int; DCC_R: Float; DCC_Rfree: Float } type PdbxVrptSummaryDiffraction { entry_id: String; ordinal: Int; IoverSigma: Float; pdbx_vrpt_diffrn_id: String } type PdbxVrptSummaryEm { entry_id: String; ordinal: Int; pdbx_vrpt_em_2D_projection_matching_NCC: Float; pdbx_vrpt_em_2D_projection_matching_modelled_subunit_frac: Float; pdbx_vrpt_em_map_q_score: Float } type PdbxVrptSummaryEntityFitToMap { entry_id: String; label_asym_id: String; label_comp_id: String; label_entity_id: String; label_seq_id: Int; pdbx_vrpt_CCC: Float; pdbx_vrpt_Q_score: Float } type PdbxVrptSummaryEntityGeometry { entry_id: String; label_asym_id: String; label_comp_id: String; label_entity_id: String; label_seq_id: Int; PDB_model_num: Int } type PdbxVrptSummaryGeometry { entry_id: String; angles_RMSZ: Float; bonds_RMSZ: Float; clashscore: Float; PDB_model_num: Int; percent_ramachandran_outliers: Float; percent_rotamer_outliers: Float } type PdbxVrptSummaryNmr { entry_id: String; ordinal: Int; pdbx_vrpt_cyrange_domain_no: Int; pdbx_vrpt_cyrange_method: String; pdbx_vrpt_cyrange_number_of_residues: Int } # ── Other mmCIF types ───────────────────────────────────────────────────────── type PdbxSolnScatter { entry_id: String; id: String; buffer_name: String; concentration_range: String; data_reduction_software_list: String; data_analysis_software_list: String; details: String; max_mean_cross_sectional_radii_of_gyration: Float; max_mean_cross_sectional_radii_of_gyration_esd: Float; mean_guiner_radius: Float; mean_guiner_radius_esd: Float; min_mean_cross_sectional_radii_of_gyration: Float; min_mean_cross_sectional_radii_of_gyration_esd: Float; num_time_frames: Int; protein_length: Int; sample_pH: Float; source: String; type: String } type PdbxSolnScatterModel { entry_id: String; id: String; scatter_id: String; conformer_selection_criteria: String; details: String; method: String; num_conformers_calculated: Int; num_conformers_submitted: Int; representative_conformer: Int; software_author_list: String; software_list: String } type PdbxSGProject { entry_id: String; id: String; full_name_of_center: String; initial_of_center: String; project_name: String } type PdbxSerialCrystallographyDataReduction { entry_id: String; diffrn_id: String; frames_failed_index: Int; frames_indexed: Int; frames_total: Int; lattices_indexed: Int; xfel_pulse_duration: Float; xfel_pulses_per_frame: Int } type PdbxSerialCrystallographyMeasurement { entry_id: String; diffrn_id: String; collection_date: Date; collection_time_total: Float; detector_distance: Float; diffrn_detector_id: String; focal_spot_size: Float; photons_per_pulse: Float; pulse_duration: Float; pulse_energy: Float; pulse_photon_energy: Float; source_distance: Float; source_size: Float } type PdbxSerialCrystallographySampleDelivery { entry_id: String; diffrn_id: String; description: String; method: String } type PdbxSerialCrystallographySampleDeliveryFixedTarget { entry_id: String; diffrn_id: String; crystals_per_unit: Int; description: String; details: String; motion_control: String; sample_dehydration_prevention: String; sample_solvent: String; sample_unit_size: Float; support_base: String; velocity_horizontal: Float; velocity_vertical: Float } type PdbxSerialCrystallographySampleDeliveryInjection { entry_id: String; diffrn_id: String; carrier_solvent: String; crystal_concentration: Float; description: String; details: String; filter_size: Float; flow_rate: Float; injector_diameter: Float; injector_nozzle: String; injector_pressure: Float; injector_temperature: Float; jet_diameter: Float; power_by: String } type PdbxReflnsTwin { diffrn_id: String; entry_id: String; fraction: Float; mean_I2_I_ratio: Float; mean_I2_sigma_I_ratio: Float; operator: String; type: String } type PdbxRelatedExpDataSet { data_format: String; data_reference: String; details: String; ordinal: Int } type PdbxInitialRefinementModel { accession_code: String; entity_id_list: [String]; id: Int; last_comp_id: String; source_name: String; type: String } type IhmEntryCollectionMapping { collection_id: Int; collection_name: String; entry_id: String; id: Int } type IhmExternalReferenceInfo { entry_id: String; id: Int; associated_url: String; details: String; object_count: Int; reference: String; reference_provider: String; reference_type: String } type MaData { content_type: String; content_type_other_details: String; id: Int; name: String } # ── Chemical Component sub-types ────────────────────────────────────────────── type PdbxChemCompAudit { action_type: String; comp_id: String; date: Date; processing_site: String } type PdbxChemCompDescriptor { comp_id: String; descriptor: String; program: String; program_version: String; type: String } type PdbxChemCompFeature { comp_id: String; source: String; type: String; value: String } type PdbxChemCompIdentifier { comp_id: String; identifier: String; program: String; program_version: String; type: String } type PdbxFamilyPrdAudit { action_type: String; annotator: String; date: Date; details: String; family_prd_id: String; processing_site: String } type PdbxMoleculeFeatures { details: String; name: String; prd_id: String; type: String } type PdbxPrdAudit { action_type: String; annotator: String; date: Date; details: String; prd_id: String; processing_site: String } type PdbxReferenceEntityList { component_id: Int; details: String; name: String; prd_id: String; ref_entity_id: String; type: String } type PdbxReferenceEntityPoly { db_code: String; db_name: String; prd_id: String; ref_entity_id: String; type: String } type PdbxReferenceEntityPolyLink { atom_id_1: String; atom_id_2: String; comp_id_1: String; comp_id_2: String; component_id: Int; entity_seq_num_1: Int; entity_seq_num_2: Int; link_id: Int; prd_id: String; ref_entity_id: String; value_order: String } type PdbxReferenceEntityPolySeq { hetero: String; mon_id: String; num: Int; observed: String; parent_mon_id: String; prd_id: String; ref_entity_id: String } type PdbxReferenceEntitySequence { NRP_flag: String; one_letter_codes: String; prd_id: String; ref_entity_id: String; type: String } type PdbxReferenceEntitySrcNat { atcc: String; db_code: String; db_name: String; ncbi_taxonomy_id: String; organism_common_name: String; organism_scientific: String; prd_id: String; ref_entity_id: String; strain: String } type PdbxReferenceMolecule { chem_comp_id: String; class: String; compound_details: String; description: String; formula: String; formula_weight: Float; name: String; prd_id: String; release_status: String; represent_as: String; representative_PDB_id_code: String; type: String } type PdbxReferenceMoleculeAnnotation { family_prd_id: String; id: Int; prd_id: String; source: String; text: String; type: String } type PdbxReferenceMoleculeDetails { family_prd_id: String; id: Int; source: String; source_id: String; text: String } type PdbxReferenceMoleculeFamily { family_prd_id: String; name: String; release_status: String; replace_family_prd_id: String } type PdbxReferenceMoleculeFeatures { ordinal: Int; prd_id: String; source: String; source_ordinal: Int; type: String; value: String } type PdbxReferenceMoleculeList { family_prd_id: String; prd_id: String } type PdbxReferenceMoleculeRelatedStructures { citation_id: String; db_accession: String; db_code: String; db_name: String; family_prd_id: String; formula: String; id: Int; name: String } type PdbxReferenceMoleculeSynonyms { family_prd_id: String; name: String; ordinal: Int; prd_id: String; source: String } # ── DrugBank ────────────────────────────────────────────────────────────────── type DrugbankContainerIdentifiers { drugbank_id: String } type DrugbankInfo { affected_organisms: [String]; atc_codes: [String]; brand_names: [String]; cas_number: String; description: String; drug_categories: [String]; drug_groups: [String]; drug_products: [DrugbankInfoDrugProducts]; mechanism_of_action: String; name: String; pharmacology: String; synonyms: [String] } type DrugbankInfoDrugProducts { approved: Boolean; country: String; ended_marketing_on: Date; labeller: String; name: String; ndc_id: String; ndc_product_code: String; source: String; started_marketing_on: Date } type DrugbankTarget { interaction_type: String; name: String; ordinal: Int; organism_common_name: String; reference_database_accession_code: String; reference_database_name: String; seq_one_letter_code: String; target_actions: [String] } # ── RCSB Container Identifiers ──────────────────────────────────────────────── type RcsbEntryContainerIdentifiers { assembly_ids: [String]; branched_entity_ids: [String]; chem_comp_ligand_ids: [String]; chem_comp_monomers: [String]; emdb_ids: [String]; entry_id: String; model_ids: [Int]; non_polymer_entity_ids: [String]; polymer_entity_ids: [String]; pubmed_id: Int; rcsb_id: String } type RcsbPolymerEntityContainerIdentifiers { asym_ids: [String]; auth_asym_ids: [String]; chem_comp_monomers: [String]; chem_ref_def_ids: [String]; entity_id: String; entry_id: String; non_standard_monomers: [String]; prd_id: String; rcsb_id: String; reference_sequence_identifiers: [RcsbPolymerEntityContainerIdentifiersReferenceSequenceIdentifiers]; uniprot_ids: [String] } type RcsbPolymerEntityContainerIdentifiersReferenceSequenceIdentifiers { database_accession: String; database_isoform: String; database_name: String; provenance_source: String } type RcsbNonpolymerEntityContainerIdentifiers { asym_ids: [String]; auth_asym_ids: [String]; chem_comp_monomers: [String]; chem_ref_def_ids: [String]; entity_id: String; entry_id: String; prd_id: String; rcsb_id: String } type RcsbBranchedEntityContainerIdentifiers { asym_ids: [String]; auth_asym_ids: [String]; chem_comp_monomers: [String]; entity_id: String; entry_id: String; rcsb_id: String; reference_identifiers: [RcsbBranchedEntityContainerIdentifiersReferenceIdentifiers] } type RcsbBranchedEntityContainerIdentifiersReferenceIdentifiers { provenance_source: String; reference_database_accession: String; reference_database_name: String } type RcsbPolymerEntityInstanceContainerIdentifiers { asym_id: String; auth_asym_id: String; auth_to_entity_poly_seq_mapping: [String]; entity_id: String; entry_id: String; rcsb_id: String } type RcsbNonpolymerEntityInstanceContainerIdentifiers { asym_id: String; auth_asym_id: String; auth_seq_id: String; comp_id: String; entity_id: String; entry_id: String; rcsb_id: String } type RcsbBranchedEntityInstanceContainerIdentifiers { asym_id: String; auth_asym_id: String; entity_id: String; entry_id: String; rcsb_id: String } type RcsbAssemblyContainerIdentifiers { assembly_id: String; entry_id: String; rcsb_id: String } type RcsbInterfaceContainerIdentifiers { assembly_id: String; entry_id: String; interface_id: String; interface_partner_index_1: Int; interface_partner_index_2: Int; rcsb_id: String } type RcsbChemCompContainerIdentifiers { atc_codes: [String]; comp_id: String; drugbank_id: String; prd_id: String; rcsb_id: String; subcomponent_ids: [String] } type RcsbPubmedContainerIdentifiers { pubmed_id: Int } type RcsbUniprotContainerIdentifiers { reference_sequence_identifiers: [RcsbUniprotContainerIdentifiersReferenceSequenceIdentifiers]; uniprot_id: String } type RcsbUniprotContainerIdentifiersReferenceSequenceIdentifiers { database_accession: String; database_isoform: String; database_name: String; provenance_source: String } type RcsbGroupContainerIdentifiers { group_id: String; group_provenance_id: String; rcsb_id: String } type RcsbGroupProvenanceContainerIdentifiers { group_provenance_id: String } type RcsbSchemaContainerIdentifiers { collection_name: String; collection_schema_version: String; schema_name: String } # ── RCSB Info/Summary types ─────────────────────────────────────────────────── type RcsbEntryInfo { assembly_count: Int; branched_entity_count: Int; cis_peptide_count: Int; deposited_atom_count: Int; deposited_hydrogen_atom_count: Int; deposited_model_count: Int; deposited_modeled_polymer_monomer_count: Int; deposited_nonpolymer_entity_instance_count: Int; deposited_polymer_entity_instance_count: Int; deposited_polymer_monomer_count: Int; deposited_solvent_atom_count: Int; deposited_unmodeled_polymer_monomer_count: Int; disulfide_bond_count: Int; entity_count: Int; experimental_method: String; experimental_method_count: Int; inter_mol_covalent_bond_count: Int; inter_mol_metalic_bond_count: Int; molecular_weight: Float; na_polymer_entity_types: String; nonpolymer_bound_components: [String]; nonpolymer_entity_count: Int; nonpolymer_molecular_weight_maximum: Float; nonpolymer_molecular_weight_minimum: Float; polymer_composition: String; polymer_entity_count: Int; polymer_entity_count_DNA: Int; polymer_entity_count_RNA: Int; polymer_entity_count_nucleic_acid: Int; polymer_entity_count_nucleic_acid_hybrid: Int; polymer_entity_count_protein: Int; polymer_entity_taxonomy_count: Int; polymer_molecular_weight_maximum: Float; polymer_molecular_weight_minimum: Float; polymer_monomer_count_maximum: Int; polymer_monomer_count_minimum: Int; resolution_combined: [Float]; selected_polymer_entity_types: String; software_programs_combined: [String]; solvent_entity_count: Int; structure_determination_methodology: String; structure_determination_methodology_priority: Int } type RcsbEntryInfoDiffrnResolutionHigh { provenance_source: String; value: Float } type RcsbAssemblyInfo { assembly_id: String; atom_count: Int; branched_atom_count: Int; branched_entity_count: Int; branched_entity_instance_count: Int; modeled_polymer_monomer_count: Int; na_polymer_entity_types: String; nonpolymer_atom_count: Int; nonpolymer_entity_count: Int; nonpolymer_entity_instance_count: Int; polymer_atom_count: Int; polymer_composition: String; polymer_entity_count: Int; polymer_entity_count_DNA: Int; polymer_entity_count_RNA: Int; polymer_entity_count_nucleic_acid: Int; polymer_entity_count_nucleic_acid_hybrid: Int; polymer_entity_count_protein: Int; polymer_entity_instance_count: Int; polymer_entity_taxonomy_count: Int; polymer_monomer_count_maximum: Int; polymer_monomer_count_minimum: Int; selected_polymer_entity_types: String; solvent_atom_count: Int; solvent_entity_count: Int; solvent_entity_instance_count: Int; total_atom_count: Int; total_entity_count: Int; unmodeled_polymer_monomer_count: Int } type RcsbInterfaceInfo { interface_area: Float; interface_character: String; interface_id: Int; num_core_interface_residues: Int; num_interface_residues: Int; polymer_composition: String; self_jaccard_contact_score: Float; interface_buriedSurface_area: Float } type RcsbPolymerInstanceInfo { conformer_id: Int; entity_poly_ref_seq_assembly_ins_count: Int; entity_poly_ref_seq_deletion_count: Int; entity_poly_ref_seq_insertion_count: Int; entity_poly_ref_seq_mutation_count: Int } type RcsbChemCompInfo { atom_count: Int; atom_count_chiral: Int; atom_count_heavy: Int; bond_count: Int; bond_count_aromatic: Int; initial_deposition_date: Date; initial_release_date: Date; release_status: String; revision_date: Date } type RcsbChemCompDescriptor { InChI: String; InChIKey: String; SMILES: String; SMILES_stereo: String } type RcsbGroupInfo { group_description: String; group_members_count: Int; group_members_granularity: String; group_title: String } type RcsbGroupStatistics { similarity_cutoff: Float; similarity_score_maximum: Float; similarity_score_minimum: Float; similarity_score_mean: Float } # ── RCSB Accession / Revision / Citation ───────────────────────────────────── type RcsbAccessionInfo { deposit_date: Date; has_released_experimental_data: String; initial_release_date: Date; major_revision: Int; minor_revision: Int; revision_date: Date; status_code: String } type RcsbLatestRevision { major_revision: Int; minor_revision: Int; revision_date: Date } type RcsbPrimaryCitation { country: String; id: String; journal_abbrev: String; journal_volume: String; page_first: String; page_last: String; pdbx_database_id_DOI: String; pdbx_database_id_PubMed: Int; rcsb_authors: [String]; rcsb_is_primary: String; rcsb_journal_abbrev: String; title: String; year: Int } type RcsbExternalReferences { id: String; link: String; type: String } type RcsbEntryGroupMembership { aggregation_method: String; group_id: String; similarity_cutoff: Float } # ── RCSB Entity types ───────────────────────────────────────────────────────── type RcsbPolymerEntity { details: String; pdbx_description: String; pdbx_ec: String; pdbx_fragment: String; pdbx_mutation: String; rcsb_ec_lineage: [RcsbPolymerEntityRcsbEcLineage]; rcsb_enzyme_class_combined: [RcsbPolymerEntityRcsbEnzymeClassCombined]; rcsb_macromolecular_names_combined: [RcsbPolymerEntityRcsbMacromolecularNamesCombined]; rcsb_polymer_name_combined: [RcsbPolymerEntityRcsbPolymerNameCombined]; src_method: String } type RcsbPolymerEntityRcsbEcLineage { depth: Int; id: String; name: String } type RcsbPolymerEntityRcsbEnzymeClassCombined { depth: Int; ec: String; provenance_source: String } type RcsbPolymerEntityRcsbMacromolecularNamesCombined { filterable_name: String; name: String; provenance_source: String; provenance_source_id: String } type RcsbPolymerEntityRcsbPolymerNameCombined { filterable_name: String; name: String; provenance_source: String; provenance_source_id: String } type RcsbPolymerEntityKeywords { text: String } type RcsbPolymerEntityNameCom { value: String } type RcsbPolymerEntityNameSys { name: String; system: String } type RcsbNonpolymerEntity { details: String; formula_weight: Float; pdbx_description: String; pdbx_number_of_molecules: Int } type RcsbNonpolymerEntityKeywords { text: String } type RcsbNonpolymerEntityNameCom { value: String } type RcsbBranchedEntity { details: String; formula_weight: Float; pdbx_description: String; pdbx_number_of_molecules: Int } type RcsbBranchedEntityKeywords { text: String } type RcsbBranchedEntityNameCom { value: String } type RcsbBranchedEntityNameSys { name: String; system: String } # ── RCSB Source Organism ────────────────────────────────────────────────────── type RcsbEntitySourceOrganism { beg_seq_num: Int; common_name: String; end_seq_num: Int; ncbi_common_name: String; ncbi_parent_scientific_name: String; ncbi_scientific_name: String; ncbi_taxonomy_id: Int; organism_common_name: String; provenance_source: String; rcsb_gene_name: [RcsbEntitySourceOrganismRcsbGeneName]; scientific_name: String; source_type: String; taxonomy_lineage: [RcsbEntitySourceOrganismTaxonomyLineage] } type RcsbEntitySourceOrganismRcsbGeneName { provenance_source: String; value: String } type RcsbEntitySourceOrganismTaxonomyLineage { depth: Int; id: String; name: String } type RcsbEntityHostOrganism { beg_seq_num: Int; common_name: String; end_seq_num: Int; ncbi_common_name: String; ncbi_scientific_name: String; ncbi_taxonomy_id: Int; provenance_source: String; scientific_name: String; taxonomy_lineage: [RcsbEntityHostOrganismTaxonomyLineage] } type RcsbEntityHostOrganismTaxonomyLineage { depth: Int; id: String; name: String } type RcsbGenomicLineage { depth: Int; id: String; name: String } type RcsbMembraneLineage { depth: Int; id: String; name: String } # ── RCSB Cluster / Alignment ────────────────────────────────────────────────── type RcsbClusterMembership { cluster_id: Int; identity: Int } type RcsbClusterFlexibility { avg_rmsd: Float; label_asym_id: String; link: String; max_rmsd: Float; provenance_source: String } type RcsbPolymerEntityAlign { aligned_regions: [RcsbPolymerEntityAlignAlignedRegions]; provenance_source: String; reference_database_accession: String; reference_database_isoform: String; reference_database_name: String } type RcsbPolymerEntityAlignAlignedRegions { entity_beg_seq_id: Int; length: Int; ref_beg_seq_id: Int } type RcsbPolymerEntityGroupMembership { group_id: String; provenance_source: String; sequence_identity: Float } type RcsbPolymerEntityGroupMembersRankings { group_members: [RcsbPolymerEntityGroupMembersRankingsGroupMembers]; ranking_criteria_type: String } type RcsbPolymerEntityGroupMembersRankingsGroupMembers { entity_id: String; entry_id: String; rank: Int } type RcsbPolymerEntityGroupSequenceAlignment { abstract_reference: RcsbPolymerEntityGroupSequenceAlignmentAbstractReference; group_members_alignment: [RcsbPolymerEntityGroupSequenceAlignmentGroupMembersAlignment] } type RcsbPolymerEntityGroupSequenceAlignmentAbstractReference { length: Int; sequence: String } type RcsbPolymerEntityGroupSequenceAlignmentGroupMembersAlignment { aligned_regions: [RcsbPolymerEntityGroupMembershipAlignedRegions]; entity_id: String; entry_id: String } type RcsbPolymerEntityGroupMembershipAlignedRegions { entity_beg_seq_id: Int; length: Int; ref_beg_seq_id: Int } # ── RCSB Annotation / Feature types ────────────────────────────────────────── type RcsbPolymerEntityAnnotation { annotation_id: String; annotation_lineage: [RcsbPolymerEntityAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbPolymerEntityAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbPolymerEntityAnnotationAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbPolymerEntityFeature { additional_properties: [RcsbPolymerEntityFeatureAdditionalProperties]; description: String; feature_id: String; feature_positions: [RcsbPolymerEntityFeatureFeaturePositions]; name: String; provenance_source: String; reference_scheme: String; type: String } type RcsbPolymerEntityFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbPolymerEntityFeatureFeaturePositions { beg_comp_id: String; beg_seq_id: Int; end_seq_id: Int; open_begin: Boolean; open_end: Boolean; values: [Float] } type RcsbPolymerEntityFeatureSummary { count: Int; coverage: Float; maximum_length: Int; maximum_value: Float; minimum_length: Int; minimum_value: Float; type: String } type RcsbNonpolymerEntityAnnotation { annotation_id: String; annotation_lineage: [RcsbNonpolymerEntityAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbNonpolymerEntityAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbNonpolymerEntityFeature { additional_properties: [RcsbNonpolymerEntityFeatureAdditionalProperties]; description: String; feature_id: String; name: String; provenance_source: String; type: String } type RcsbNonpolymerEntityFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbNonpolymerEntityFeatureSummary { count: Int; maximum_value: Float; minimum_value: Float; type: String } type RcsbBranchedEntityAnnotation { annotation_id: String; annotation_lineage: [RcsbBranchedEntityAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbBranchedEntityAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbBranchedEntityFeature { additional_properties: [RcsbBranchedEntityFeatureAdditionalProperties]; description: String; feature_id: String; feature_positions: [RcsbBranchedEntityFeatureFeaturePositions]; name: String; provenance_source: String; reference_scheme: String; type: String } type RcsbBranchedEntityFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbBranchedEntityFeatureFeaturePositions { beg_comp_id: String; beg_seq_id: Int; end_seq_id: Int; open_begin: Boolean; open_end: Boolean; values: [Float] } type RcsbBranchedEntityFeatureSummary { count: Int; coverage: Float; maximum_length: Int; maximum_value: Float; minimum_length: Int; minimum_value: Float; type: String } type RcsbAssemblyAnnotation { annotation_id: String; description: String; name: String; provenance_source: String; type: String } type RcsbAssemblyAnnotationAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbAssemblyFeature { additional_properties: [RcsbAssemblyFeatureAdditionalProperties]; description: String; feature_id: String; feature_positions: [RcsbAssemblyFeatureFeaturePositions]; name: String; provenance_source: String; type: String } type RcsbAssemblyFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbAssemblyFeatureFeaturePositions { beg_seq_id: Int; end_seq_id: Int } type RcsbChemCompAnnotation { annotation_id: String; annotation_lineage: [RcsbChemCompAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbChemCompAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbChemCompRelated { comp_id: String; ordinal: Int; related_mapping_method: String; resource_accession_code: String; resource_name: String } type RcsbChemCompSynonyms { comp_id: String; name: String; provenance_source: String; type: String } type RcsbChemCompTarget { comp_id: String; id: String; interaction_type: String; name: String; provenance_source: String; reference_database_accession_code: String; reference_database_name: String; target_actions: [String] } # ── RCSB Instance Annotation/Feature ───────────────────────────────────────── type RcsbPolymerInstanceAnnotation { annotation_id: String; annotation_lineage: [RcsbPolymerInstanceAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbPolymerInstanceAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbPolymerInstanceFeature { additional_properties: [RcsbPolymerInstanceFeatureAdditionalProperties]; description: String; feature_id: String; feature_positions: [RcsbPolymerInstanceFeatureFeaturePositions]; name: String; provenance_source: String; reference_scheme: String; type: String } type RcsbPolymerInstanceFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbPolymerInstanceFeatureFeaturePositions { beg_comp_id: String; beg_seq_id: Int; end_seq_id: Int; open_begin: Boolean; open_end: Boolean; values: [Float] } type RcsbPolymerInstanceFeatureSummary { count: Int; coverage: Float; maximum_length: Int; maximum_value: Float; minimum_length: Int; minimum_value: Float; type: String } type RcsbNonpolymerInstanceAnnotation { annotation_id: String; annotation_lineage: [RcsbNonpolymerInstanceAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbNonpolymerInstanceAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbNonpolymerInstanceFeature { additional_properties: [RcsbNonpolymerInstanceFeatureAdditionalProperties]; description: String; feature_id: String; name: String; provenance_source: String; type: String } type RcsbNonpolymerInstanceFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbNonpolymerInstanceFeatureSummary { count: Int; maximum_value: Float; minimum_value: Float; type: String } type RcsbNonpolymerInstanceValidationScore { alt_id: String; is_subject_of_investigation: Boolean; is_subject_of_investigation_provenance: String; LLDF: Float; mogul_angle_outlier: Boolean; mogul_angles_RMSZ: Float; mogul_bond_outlier: Boolean; mogul_bonds_RMSZ: Float; RSR: Float; RSRCC: Float; RSRZ: Float; stereo_outlier: Boolean; type: String } type RcsbBranchedInstanceAnnotation { annotation_id: String; annotation_lineage: [RcsbBranchedInstanceAnnotationAnnotationLineage]; description: String; name: String; provenance_source: String; type: String } type RcsbBranchedInstanceAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbBranchedInstanceFeature { additional_properties: [RcsbBranchedInstanceFeatureAdditionalProperties]; description: String; feature_id: String; feature_positions: [RcsbBranchedInstanceFeatureFeaturePositions]; feature_value: [RcsbBranchedInstanceFeatureFeatureValue]; name: String; provenance_source: String; reference_scheme: String; type: String } type RcsbBranchedInstanceFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbBranchedInstanceFeatureFeaturePositions { beg_comp_id: String; beg_seq_id: Int; end_seq_id: Int; open_begin: Boolean; open_end: Boolean } type RcsbBranchedInstanceFeatureFeatureValue { comp_id: String; details: String; reference: String; reported: String; uncertainty: Float; uncertainty_type: String } type RcsbBranchedInstanceFeatureSummary { count: Int; coverage: Float; maximum_length: Int; maximum_value: Float; minimum_length: Int; minimum_value: Float; type: String } # ── RCSB Struct Conn ────────────────────────────────────────────────────────── type RcsbPolymerStructConn { connect_partner: RcsbPolymerStructConnConnectPartner; connect_target: RcsbPolymerStructConnConnectTarget; connect_type: String; description: String; id: String; length: Float; pdbx_dist_value: Float; pdbx_leaving_atom_flag: String; pdbx_role: String; pdbx_value_order: String; role: String } type RcsbPolymerStructConnConnectPartner { label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int } type RcsbPolymerStructConnConnectTarget { auth_asym_id: String; auth_seq_id: String; label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int } type RcsbNonpolymerStructConn { connect_partner: RcsbNonpolymerStructConnConnectPartner; connect_target: RcsbNonpolymerStructConnConnectTarget; connect_type: String; description: String; id: String; length: Float; pdbx_dist_value: Float; pdbx_leaving_atom_flag: String; pdbx_role: String; pdbx_value_order: String; role: String } type RcsbNonpolymerStructConnConnectPartner { label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int } type RcsbNonpolymerStructConnConnectTarget { auth_asym_id: String; auth_seq_id: String; label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String } type RcsbBranchedStructConn { connect_partner: RcsbBranchedStructConnConnectPartner; connect_target: RcsbBranchedStructConnConnectTarget; connect_type: String; description: String; id: String; length: Float; pdbx_dist_value: Float; pdbx_leaving_atom_flag: String; pdbx_role: String; pdbx_value_order: String; role: String } type RcsbBranchedStructConnConnectPartner { label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int } type RcsbBranchedStructConnConnectTarget { auth_asym_id: String; auth_seq_id: String; label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int } # ── RCSB Interface ──────────────────────────────────────────────────────────── type RcsbInterfacePartner { interface_partner_feature: [RcsbInterfacePartnerInterfacePartnerFeature]; interface_partner_identifier: RcsbInterfacePartnerInterfacePartnerIdentifier } type RcsbInterfacePartnerInterfacePartnerFeature { additional_properties: [InterfacePartnerFeatureAdditionalProperties]; feature_id: String; feature_positions: [InterfacePartnerFeatureFeaturePositions]; name: String; provenance_source: String; type: String } type InterfacePartnerFeatureAdditionalProperties { name: String; values: [ObjectScalar] } type InterfacePartnerFeatureFeaturePositions { beg_seq_id: Int; end_seq_id: Int; interfaces_ids: [Int] } type RcsbInterfacePartnerInterfacePartnerIdentifier { asym_id: String; auth_asym_id: String; entity_id: String } # ── RCSB Symmetry ───────────────────────────────────────────────────────────── type RcsbStructSymmetry { clusters: [RcsbStructSymmetryClusters]; kind: String; oligomeric_state: String; rotation_axes: [RcsbStructSymmetryRotationAxes]; stoichiometry: [String]; symbol: String; type: String } type RcsbStructSymmetryClusters { avg_rmsd: Float; members: [ClustersMembers] } type ClustersMembers { asym_id: String; pdbx_struct_oper_list_ids: [String] } type RcsbStructSymmetryRotationAxes { order: Int; start: [Float]; end: [Float] } type RcsbStructSymmetryLineage { depth: Int; id: String; name: String } # ── RCSB Binding / Ligand ───────────────────────────────────────────────────── type RcsbBindingAffinity { comp_id: String; link: String; provenance_source: String; reference_sequence_identity: Float; symbol: String; type: String; unit: String; value: Float } type RcsbLigandNeighbors { atom_id: String; auth_asym_id: String; auth_seq_id: String; comp_id: String; is_subject: Boolean; label_alt_id: String; label_asym_id: String; label_comp_id: String; label_seq_id: Int; link_type: String; symmetry: String; target_is_auth_seq: Boolean } type RcsbTargetNeighbors { atom_id: String; auth_asym_id: String; auth_seq_id: String; comp_id: String; distance: Float; is_modified: Boolean; label_alt_id: String; label_asym_id: String; label_atom_id: String; label_comp_id: String; label_seq_id: Int; symmetry: String; target_is_auth_seq: Boolean } type RcsbTargetCofactors { cofactor_chem_comp_id: String; cofactor_description: String; cofactor_formula_weight: Float; cofactor_in_ChEMBL: Boolean; cofactor_InChIKey: String; cofactor_SMILES: String; neighbor_count: Int; pharmacology_actions: [String]; provenance_source: String; reference_database_accession_code: String; reference_database_name: String; target_name: String } type RcsbRelatedTargetReferences { aligned_target: [RcsbRelatedTargetReferencesAlignedTarget]; provenance_source: String; related_resource_accession_code: String; related_resource_name: String; related_resource_version: String; target_taxonomy_id: Int } type RcsbRelatedTargetReferencesAlignedTarget { entity_beg_seq_id: Int; length: Int; ref_beg_seq_id: Int } # ── UniProt ─────────────────────────────────────────────────────────────────── type RcsbUniprotProtein { ec: [RcsbUniprotProteinEc]; function: RcsbUniprotProteinFunction; gene: [RcsbUniprotProteinGene]; name: RcsbUniprotProteinName; source_organism: RcsbUniprotProteinSourceOrganism } type RcsbUniprotProteinEc { number: String; provenance_source: String } type RcsbUniprotProteinFunction { details: String; provenance_source: String } type RcsbUniprotProteinGene { name: [GeneName] } type GeneName { provenance_source: String; type: String; value: String } type RcsbUniprotProteinName { provenance_source: String; value: String } type RcsbUniprotProteinSourceOrganism { common_name: String; ncbi_taxonomy_id: Int; provenance_source: String; scientific_name: String } type RcsbUniprotAnnotation { annotation_id: String; annotation_lineage: [RcsbUniprotAnnotationAnnotationLineage]; additional_properties: [RcsbUniprotAnnotationAdditionalProperties]; description: String; name: String; provenance_source: String; type: String } type RcsbUniprotAnnotationAnnotationLineage { depth: Int; id: String; name: String } type RcsbUniprotAnnotationAdditionalProperties { name: String; values: [ObjectScalar] } type RcsbUniprotExternalReference { provenance_source: String; reference_id: String; reference_name: String } type RcsbUniprotFeature { additional_properties: [ObjectScalar]; description: String; feature_id: String; feature_positions: [RcsbUniprotFeatureFeaturePositions]; feature_value: [ObjectScalar]; name: String; provenance_source: String; reference_scheme: String; type: String } type RcsbUniprotFeatureFeaturePositions { beg_seq_id: Int; end_seq_id: Int; open_begin: Boolean; open_end: Boolean } type RcsbUniprotKeyword { id: String; name: String; provenance_source: String } type RcsbUniprotAlignments { core_entity_alignments: [RcsbUniprotAlignmentsCoreEntityAlignments] } type RcsbUniprotAlignmentsCoreEntityAlignments { aligned_regions: [CoreEntityAlignmentsAlignedRegions]; core_entity_identifiers: CoreEntityAlignmentsCoreEntityIdentifiers; scores: [CoreEntityAlignmentsScores] } type CoreEntityAlignmentsAlignedRegions { entity_beg_seq_id: Int; length: Int; ref_beg_seq_id: Int } type CoreEntityAlignmentsCoreEntityIdentifiers { entity_id: String; entry_id: String } type CoreEntityAlignmentsScores { name: String; value: Float } # ── PubMed ──────────────────────────────────────────────────────────────────── type RcsbPubmedMeshDescriptorsLineage { depth: Int; id: String; name: String } # ── PFAM ────────────────────────────────────────────────────────────────────── type RcsbPfamContainerIdentifiers { pfam_id: String } # ── Group Aggregation ───────────────────────────────────────────────────────── type RcsbGroupAccessionInfo { deposit_date: Date; id: String; initial_release_date: Date; major_revision: Int; minor_revision: Int; revision_date: Date; status_code: String } type RcsbGroupAggregationMethod { method: [RcsbGroupAggregationMethodMethod]; similarity_criteria: [RcsbGroupAggregationMethodSimilarityCriteria] } type RcsbGroupAggregationMethodMethod { name: String; software_name: String; software_version: String } type RcsbGroupAggregationMethodSimilarityCriteria { name: String; value: Float } type RcsbGroupRelated { group_id: String; group_provenance_id: String; resource_accession_code: String; resource_name: String } # ── Computed Structure Model (CSM) ──────────────────────────────────────────── type RcsbCompModelProvenance { entry_id: String; source_db: String; source_url: String } type RcsbMaQaMetricGlobal { ma_qa_metric_global: [RcsbMaQaMetricGlobalMaQaMetricGlobal] } type RcsbMaQaMetricGlobalMaQaMetricGlobal { description: String; name: String; type: String; value: Float } type RcsbIhmDatasetList { dataset_group_id: Int; id: Int; url: String; data_type: String; database_name: String; version: String } type RcsbIhmDatasetSourceDbReference { db_accession: String; db_name: String; id: Int; seq_db_align_beg: Int; seq_db_align_end: Int; seq_db_isoform: String; version: String } type MethodDetails { class: String; details: String; name: String; software_list: [String]; software_version: String; step: String; type: String } # ── Repository Holdings ─────────────────────────────────────────────────────── type RcsbRepositoryHoldingsCurrent { repository_content_types: [String] } type RcsbRepositoryHoldingsCurrentEntryContainerIdentifiers { assembly_ids: [String]; entry_id: String; rcsb_id: String } # ── Current / Group Entry sub-types ────────────────────────────────────────── type CurrentEntry { rcsb_id: String; status: String } type GroupMembersAlignmentScores { name: String; value: Float } type GroupProvenance { rcsb_group_provenance_container_identifiers: RcsbGroupProvenanceContainerIdentifiers } type RcsbBirdCitation { authors: [String]; id: String; journal_abbrev: String; journal_id_ASTM: String; journal_id_ISSN: String; journal_id_CSD: Int; journal_volume: String; language: String; page_first: String; page_last: String; pdbx_database_id_DOI: String; pdbx_database_id_PubMed: Int; title: String; year: Int }