Attributes
UniProt ID
Protein Name
beta-lactamase
Ligand Name
[(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CDDJMEDWZMPIRW-GMSGAONNSA-N
SMILES
B(C(c1ccc(cc1)F)NC(=O)C(C)CS)(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: 6JN5
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Color Legend
Unassigned regionsLigand / hetero atomse6jn5A1e6jn5A2e6jn5B1e6jn5B2e6jn5C1e6jn5C2e6jn5D1e6jn5D2
ECOD domains from experimental PDB structures interacting with ligand BXU
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5A1 | A:26-65,A:180-291 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5A2 | A:66-179 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5B1 | B:66-179 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5B2 | B:29-65,B:180-291 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5C1 | C:66-179 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5C2 | C:26-65,C:180-291 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5D1 | D:66-179 |
| Q93LQ9 | n/a | BXU | 6jn5 | e6jn5D2 | D:30-65,D:180-291 |