PDB Entry (5y9b)
PDB ID: 5y9b Resolution: 2.15 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: Gamma-glutamyltranspeptidase
Uniprot ID/ACC: Q65KZ6 (Q65KZ6_BACLD) Organism: Bacillus licheniformis (strain ATCC 14580 / DSM 13 / JCM 2505 / NBRC 12200 / NCIMB 9375 / NRRL NRS-1264 / Gibson 46)
Gene Symbol: ggt Gene ID: 3030393
Protein Class: TRANSFERASE
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:   DON 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 399 B 15.9 - Diazomethyl Carbonyl
Binding Affinity
-