DrugDomain logoDrugDomain

Attributes

UniProt ID
D1GLU5
Protein Name
Non-ribosomal peptide synthetase
Ligand Name
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
DrugBank ID
DB02596
PDB Ligand Accession
APC
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(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: 4GR5
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Color Legend
Unassigned regionsLigand / hetero atomse4gr5A2e4gr5A3e4gr5A4e4gr5A5e4gr5B1e4gr5B2e4gr5B3e4gr5B4e4gr5C1e4gr5C3e4gr5C4e4gr5C5e4gr5D2e4gr5D3e4gr5D4e4gr5D5
ECOD domains from experimental PDB structures interacting with ligand DB02596
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
D1GLU5DB02596APC4gr5e4gr5A2A:388-464
D1GLU5DB02596APC4gr5e4gr5A5A:206-387
D1GLU5DB02596APC4gr5e4gr5B1B:206-387
D1GLU5DB02596APC4gr5e4gr5B2B:388-464
D1GLU5DB02596APC4gr5e4gr5C1C:206-387
D1GLU5DB02596APC4gr5e4gr5C5C:388-464
D1GLU5DB02596APC4gr5e4gr5D2D:388-464
D1GLU5DB02596APC4gr5e4gr5D5D:206-387