DrugDomain logoDrugDomain

Attributes

UniProt ID
Q93TK0
Protein Name
Benzoate-coenzyme A ligase
Ligand Name
ADENOSINE MONOPHOSPHATE
DrugBank ID
DB00131
PDB Ligand Accession
AMP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 6M2T
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Color Legend
Unassigned regionsLigand / hetero atomse6m2tA1e6m2tA2e6m2tA3e6m2tA4e6m2tB1e6m2tB2e6m2tB3e6m2tB4e6m2tC1e6m2tC2e6m2tC3e6m2tC4e6m2tD1e6m2tD2e6m2tD3e6m2tD4
ECOD domains from experimental PDB structures interacting with ligand DB00131
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q93TK0DB00131AMP6m2te6m2tA2A:160-339
Q93TK0DB00131AMP6m2te6m2tA3A:340-411
Q93TK0DB00131AMP6m2te6m2tA4A:412-523
Q93TK0DB00131AMP6m2te6m2tB2B:160-339
Q93TK0DB00131AMP6m2te6m2tB3B:412-523
Q93TK0DB00131AMP6m2te6m2tB4B:340-411
Q93TK0DB00131AMP6m2te6m2tC1C:160-339
Q93TK0DB00131AMP6m2te6m2tC2C:412-523
Q93TK0DB00131AMP6m2te6m2tC3C:340-411
Q93TK0DB00131AMP6m2te6m2tD1D:160-339
Q93TK0DB00131AMP6m2te6m2tD2D:412-523
Q93TK0DB00131AMP6m2te6m2tD4D:340-411
Q93TK0DB00131AMP6m2ue6m2uA2A:340-411
Q93TK0DB00131AMP6m2ue6m2uA3A:412-523
Q93TK0DB00131AMP6m2ue6m2uA4A:160-339
Q93TK0DB00131AMP6m2ue6m2uB1B:412-523
Q93TK0DB00131AMP6m2ue6m2uB2B:340-411
Q93TK0DB00131AMP6m2ue6m2uB3B:160-339