PDB Entry (5xlu) |
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PDB ID: 5xlu | Resolution: 1.45 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: - | DOI: - | |
Protein |
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Protein Name: Gamma glutamyl transpeptidase | |
Uniprot ID/ACC: A9YTT0 (A9YTT0_BACLI) | Organism: Bacillus licheniformis |
Gene Symbol: - | Gene ID: - |
Protein Class: TRANSFERASE |
Ligand |
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Ligand Name: ACIVICIN | ||
Canonical SMILES: N[C@@H]([C@@H]1CC(Cl)=NO1)C(O)=O | ||
Standard InChI: InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1 | ||
HET Code: AVN | PubChem: 294641 | |
DrugBank: - | ChEMBL: CHEMBL1231101 | |
Molecular Formula: C5H7ClN2O3 | Mol. Weight: 178.01453 | logP: -0.2605 |
HBD: 2 | HBA: 4 | |
#Rotatable Bonds: 2 | TPSA: 84.91 |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
Nucleophilic Aliphatic Subsititution | THR 399 | B | 16.05 | - | Imidoyl Halide |
Binding Affinity |
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