Attributes
UniProt ID
Protein Name
Beta-lactamase
Ligand Name
3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SEUMVDPBYULKQH-UHFFFAOYSA-N
SMILES
B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5WAE
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Color Legend
Unassigned regionsLigand / hetero atomse5waeA1e5waeA2e5waeB1e5waeB2e5waeC1e5waeC2e5waeD1e5waeD2
ECOD domains from experimental PDB structures interacting with ligand A1J
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q6DRA1 | n/a | A1J | 5wae | e5waeA1 | A:4-60,A:226-358 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeA2 | A:61-225 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeB1 | B:1-60,B:226-358 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeB2 | B:61-225 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeC1 | C:3-60,C:226-358 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeC2 | C:61-225 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeD1 | D:5-60,D:226-358 |
| Q6DRA1 | n/a | A1J | 5wae | e5waeD2 | D:61-225 |