DrugDomain logoDrugDomain

Attributes

UniProt ID
Q3ACS2
Protein Name
Iron-sulfur cluster binding protein
Ligand Name
COBALAMIN
DrugBank ID
None
PDB Ligand Accession
B12
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LKVIQTCSMMVGFU-DWSMJLPVSA-N
SMILES
Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 4C1N
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Color Legend
Unassigned regionsLigand / hetero atomse4c1nA1e4c1nA2e4c1nA3e4c1nB1e4c1nC1e4c1nC2e4c1nC3e4c1nD1e4c1nE1e4c1nE2e4c1nE3e4c1nF1e4c1nG1e4c1nG2e4c1nG3e4c1nH1e4c1nI1e4c1nI2e4c1nI3e4c1nJ1e4c1nJ2e4c1nJ3e4c1nK1e4c1nK2e4c1nK3e4c1nX1e4c1nX2e4c1nX3
ECOD domains from experimental PDB structures interacting with ligand B12
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q3ACS2n/aB124c1ne4c1nI1I:370-630
Q3ACS2n/aB124c1ne4c1nI2I:204-369
Q3ACS2n/aB124c1ne4c1nJ1J:370-630
Q3ACS2n/aB124c1ne4c1nJ2J:204-369
Q3ACS2n/aB124c1ne4c1nK1K:370-630
Q3ACS2n/aB124c1ne4c1nK2K:204-369
Q3ACS2n/aB124c1ne4c1nX1X:370-630
Q3ACS2n/aB124c1ne4c1nX2X:204-369