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 |
||
- |