Attributes
UniProt ID
Protein Name
Vanillate/3-O-methylgallate O-demethylase
Ligand Name
3-methoxy-4,5-bis(oxidanyl)benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KWCCUYSXAYTNKA-UHFFFAOYSA-N
SMILES
COc1cc(cc(c1O)O)C(=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: 5X1K
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Color Legend
Unassigned regionsLigand / hetero atomse5x1kA1e5x1kA2e5x1kA3e5x1kB1e5x1kB2e5x1kB3e5x1kC1e5x1kC2e5x1kC3
ECOD domains from experimental PDB structures interacting with ligand 7WR
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kA1 | A:3-59,A:153-328 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kA2 | A:329-459 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kA3 | A:60-152 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kB1 | B:329-454 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kB2 | B:2-59,B:153-328 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kB3 | B:60-152 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kC1 | C:4-59,C:153-328 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kC2 | C:329-455 |
| G2IQS7 | n/a | 7WR | 5x1k | e5x1kC3 | C:60-152 |