Chemical Component Service

Get chemical component (ligands, small molecules and monomers) by CCD ID.

get/rest/v1/core/chemcomp/{comp_id}

Request

Path parameters

comp_idstring required
Example:CFF

CHEM COMP ID that uniquely identifies the chemical component. For protein polymer entities, this is the three-letter code for the amino acid. For nucleic acid polymer entities, this is the one-letter code for the base.

Response

OK

rcsb_idstring required

A unique identifier for the chemical definition in this container.

Example response

{
  "chem_comp": {
    "formula": "C18 H19 N7 O8 S\n",
    "id": "ALA, VAL, DG, C\n",
    "name": "alanine, valine, adenine, cytosine\n",
    "one_letter_code": "A, B, R, N, D, C, Q, E, Z, G, H, I, L, K, M, F, P, S, T, W, Y, V, U, O, X\n",
    "pdbx_pcm": "Y\n",
    "pdbx_replaced_by": "q11, tvx\n",
    "pdbx_replaces": "q11, tvx,atv\n",
    "pdbx_subcomponent_list": "TSM DPH HIS CHF EMR\n",
    "three_letter_code": "ALA, ARG, ASN, ASP, ASX, CYS, GLN, GLU, GLY, GLX, HIS, ILE, LEU, LYS, MET, PHE, PRO, SER, THR, TRP, TYR, VAL, 1MA, 5MC, OMC, 1MG, 2MG, M2G, 7MG, 0MG, H2U, 5MU, PSU, ACE, FOR, HOH, UNK\n"
  },
  "pdbx_chem_comp_audit": [
    {
      "details": "Added C14 as a leaving atom.\n"
    }
  ],
  "pdbx_chem_comp_descriptor": [
    {
      "program": "OPENEYE, CACTVS, DAYLIGHT, OTHER\n"
    }
  ],
  "pdbx_chem_comp_feature": [
    {
      "comp_id": "ABC, ATP\n",
      "source": "PDB, CHEBI, DRUGBANK, PUBCHEM\n",
      "type": "CARBOHYDRATE ANOMER, CARBOHYDRATE ISOMER, CARBOHYDRATE RING\n"
    }
  ],
  "pdbx_chem_comp_identifier": [
    {
      "program": "OPENEYE, DAYLIGHT, ACD, AUTONOM, PUBCHEM_CID, PUBCHEM_SID, OTHER, NONE\n"
    }
  ],
  "pdbx_chem_comp_pcm": [
    {
      "category": "Named protein modification\n",
      "comp_id_linking_atom": "C1\n",
      "modified_residue_id": "SER\n",
      "modified_residue_id_linking_atom": "OG\n",
      "polypeptide_position": "Any position\n",
      "position": "Amino acid side chain\n",
      "type": "Phosphorylation\n",
      "uniprot_generic_ptm_accession": "PTM-0252\n",
      "uniprot_specific_ptm_accession": "PTM-0253\n"
    }
  ],
  "pdbx_family_prd_audit": [
    {
      "annotator": "JO, SJ, KB\n",
      "details": "Revise molecule sequence.\n",
      "processing_site": "RCSB, PDBE, PDBJ, BMRB, PDBC\n"
    }
  ],
  "pdbx_prd_audit": [
    {
      "annotator": "JO, SJ, KB\n",
      "details": "Revise molecule sequence.\n",
      "processing_site": "RCSB, PDBE, PDBJ, BMRB, PDBC\n"
    }
  ],
  "pdbx_reference_entity_list": [
    {
      "type": "polymer, non-polymer, branched\n"
    }
  ],
  "pdbx_reference_entity_poly": [
    {
      "type": "peptide-like\n"
    }
  ],
  "pdbx_reference_entity_poly_seq": [
    {
      "hetero": "N\n",
      "observed": "Y\n"
    }
  ],
  "pdbx_reference_entity_sequence": [
    {
      "NRP_flag": "Y\n",
      "type": "peptide-like, saccharide\n"
    }
  ],
  "pdbx_reference_entity_src_nat": [
    {
      "organism_scientific": "Mus musculus\n"
    }
  ],
  "pdbx_reference_molecule": {
    "chem_comp_id": "0Z3, CD9\n",
    "formula": "C18 H19 N7 O8 S\n",
    "name": "thiostrepton\n",
    "prd_id": "PRD_000001, PRD_0000010\n",
    "type": "Peptide-like, Macrolide\n"
  },
  "pdbx_reference_molecule_annotation": [
    {
      "source": "depositor provided, from UniProt Entry P200311\n",
      "text": "antigen binding, glucose transporter activity\n",
      "type": "Function, Use, Pharmacology, Mechanism_of_Action, Biological_Activity, Inhibitor_Class, Therapeutic_Category, Research_Use, Other_annotation\n"
    }
  ],
  "pdbx_reference_molecule_family": {
    "name": "actinomycin, adriamycin\n"
  },
  "pdbx_reference_molecule_features": [
    {
      "source": "PDB, CHEBI, DRUGBANK, PUBCHEM\n",
      "type": "FUNCTION, ENZYME INHIBITED, STRUCTURE IMAGE URL\n"
    }
  ],
  "pdbx_reference_molecule_related_structures": [
    {
      "db_accession": "143108",
      "db_code": "QEFHUE\n",
      "db_name": "CCDC\n",
      "formula": "C18 H19 N7 O8 S\n",
      "name": "actinomycn\n"
    }
  ],
  "pdbx_reference_molecule_synonyms": [
    {
      "name": "thiostrepton\n",
      "source": "CAS\n"
    }
  ],
  "rcsb_bird_citation": [
    {
      "id": "1, 2\n",
      "journal_abbrev": "J.Mol.Biol., J. Mol. Biol.\n",
      "journal_volume": "174",
      "pdbx_database_id_DOI": "10.2345/S1384107697000225\n",
      "title": "Structure of diferric duck ovotransferrin\n                                  at 2.35 Angstroms resolution.\n"
    }
  ],
  "rcsb_chem_comp_annotation": [
    {
      "assignment_version": "V4_0_2\n",
      "provenance_source": "RESID, UniProt, PDB\n",
      "type": "PSI-MOD\n"
    }
  ],
  "rcsb_chem_comp_container_identifiers": {
    "comp_id": "ATP, STI\n",
    "drugbank_id": "DB00781, DB15263\n",
    "prd_id": "PRD_000010\n",
    "rcsb_id": "ATP, PRD_000010\n"
  },
  "rcsb_chem_comp_descriptor": {
    "InChI": "InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1\n",
    "InChIKey": "BNOCDEBUFVJMQI-REOHCLBHSA-N\n",
    "SMILES": "OC(=O)[CH](CF)O[P](O)(O)=O\n",
    "SMILES_stereo": "OC(=O)[C@H](CF)O[P](O)(O)=O\n"
  },
  "rcsb_chem_comp_info": {
    "release_status": "REL\n"
  },
  "rcsb_chem_comp_related": [
    {
      "related_mapping_method": "assigned by DrugBank resource\n",
      "resource_accession_code": "124832",
      "resource_name": "CCDC/CSD\n"
    }
  ],
  "rcsb_chem_comp_synonyms": [
    {
      "name": "Ursonic acid, Talotrexin, 4-oxodecanedioic acid\n"
    }
  ],
  "rcsb_chem_comp_target": [
    {
      "reference_database_accession_code": "Q9HD40\n",
      "reference_database_name": "UniProt\n"
    }
  ],
  "rcsb_id": "ATP, PRD_000010\n"
}

Changes

No recorded changes to this operation across all 1 revision of this API.