Chemical Component Service
Get chemical component (ligands, small molecules and monomers) by CCD ID.
get/rest/v1/core/chemcomp/{comp_id}
Request
- Base URLhttps://data.rcsb.org
- Authnone declared
- TypeScriptA function with typed inputs. Its response is checked against the schema.
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
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.