Attributes
UniProt ID
Protein Name
Benzaldehyde lyase
Ligand Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NEEQBMRCDKRNBV-FQEVSTJZSA-O
SMILES
Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(c3ccccc3)(O)P(=O)(O)OC)CCOP(=O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3D7K
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Color Legend
Unassigned regionsLigand / hetero atomse3d7kA1e3d7kA2e3d7kA3e3d7kB1e3d7kB2e3d7kB3
ECOD domains from experimental PDB structures interacting with ligand D7K
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9F4L3 | n/a | D7K | 3d7k | e3d7kA1 | A:368-555 |
| Q9F4L3 | n/a | D7K | 3d7k | e3d7kA2 | A:2-185 |
| Q9F4L3 | n/a | D7K | 3d7k | e3d7kB2 | B:368-555 |
| Q9F4L3 | n/a | D7K | 3d7k | e3d7kB3 | B:2-185 |
| Q9F4L3 | n/a | D7K | 3iae | e3iaeA2 | A:2-185 |
| Q9F4L3 | n/a | D7K | 3iae | e3iaeA3 | A:368-555 |
| Q9F4L3 | n/a | D7K | 3iae | e3iaeB2 | B:2-185 |
| Q9F4L3 | n/a | D7K | 3iae | e3iaeB3 | B:368-555 |