Attributes
UniProt ID
Protein Name
4-substituted benzoates-glutamate ligase GH3.12
Ligand Name
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
DrugBank ID
PDB Ligand Accession
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.
Structure: 4EWV
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Color Legend
Unassigned regionsLigand / hetero atomse4ewvA1e4ewvA2e4ewvA3e4ewvB1e4ewvB2e4ewvB3
ECOD domains from experimental PDB structures interacting with ligand DB02596
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvA1 | A:8-80,A:103-345 |
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvA2 | A:418-575 |
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvA3 | A:346-417 |
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvB1 | B:8-345 |
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvB2 | B:418-575 |
| Q9LYU4 | DB02596 | APC | 4ewv | e4ewvB3 | B:346-417 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39A1 | A:9-345 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39A2 | A:418-575 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39A3 | A:346-417 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39B1 | B:8-345 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39B2 | B:418-574 |
| Q9LYU4 | DB02596 | APC | 4l39 | e4l39B3 | B:346-417 |