PDB Entry (5v4q)
PDB ID: 5v4q Resolution: 2.2 Å Exp. Method: X-RAY DIFFRACTION
PMID: 28378915 DOI: 10.1002/pro.3172
Protein
Protein Name: Glutathione hydrolase 1 proenzyme
Uniprot ID/ACC: P19440 (GGT1_HUMAN) Organism: Homo sapiens (Human)
Gene Symbol: GGT1 Gene ID: 2678
Protein Class: HYDROLASE
Ligand
Ligand Name:   6-diazo-5-oxo-l-norleucine
Canonical SMILES:   N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O
Standard InChI:   InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)/t5-/m0/s1
HET Code:   8WY PubChem:   9087
DrugBank:   - ChEMBL:   CHEMBL97485
Molecular Formula:   C6H9N3O3 Mol. Weight:   171.06439 logP:   -0.9518
HBD:   2 HBA:   3
#Rotatable Bonds:   5 TPSA:   116.79
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Cyclohemiaminoacetalization THR 381 B 24.65 - Diazomethyl Carbonyl
Binding Affinity
Database Name Value
PDBBind Ki : 2700000 nM