PDB Entry (2z8k)
PDB ID: 2z8k Resolution: 1.65 Å Exp. Method: X-RAY DIFFRACTION
PMID: 18555071 DOI: 10.1016/j.jmb.2008.05.007
Protein
Protein Name: Glutathione hydrolase proenzyme
Uniprot ID/ACC: P18956 (GGT_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: ggt Gene ID: 947947
Protein Class: HYDROLASE
Ligand
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 391 B 32.71 - Imidoyl Halide
Binding Affinity
-