Attributes
UniProt ID
Protein Name
Carbapenem-hydrolyzing beta-lactamase OXA-40
Ligand Name
(4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QJKQOMNNBOTMCR-PQTSNVLCSA-N
SMILES
CC1C(NC(=C1SC2CC(NC2)CNS(=O)(=O)N)C(=O)O)C(C=O)C(C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3PAE
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse3paeA1e3paeA2e3paeB1e3paeB2
ECOD domains from experimental PDB structures interacting with ligand 4J6
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q8RLA6 | n/a | 4J6 | 3pae | e3paeA1 | A:32-76,A:174-275 |
| Q8RLA6 | n/a | 4J6 | 3pae | e3paeA2 | A:77-173 |
| Q8RLA6 | n/a | 4J6 | 3pae | e3paeB1 | B:77-173 |
| Q8RLA6 | n/a | 4J6 | 3pae | e3paeB2 | B:32-76,B:174-275 |
| Q8RLA6 | n/a | 4J6 | 3pag | e3pagA1 | A:77-173 |
| Q8RLA6 | n/a | 4J6 | 3pag | e3pagA2 | A:31-76,A:174-275 |
| Q8RLA6 | n/a | 4J6 | 3pag | e3pagB1 | B:31-76,B:174-275 |
| Q8RLA6 | n/a | 4J6 | 3pag | e3pagB2 | B:77-173 |
| Q8RLA6 | n/a | 4J6 | 7rpf | e7rpfA1 | A:77-173 |
| Q8RLA6 | n/a | 4J6 | 7rpf | e7rpfA2 | A:31-76,A:174-275 |