PDB Entry (5v4q) |
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PDB ID: 5v4q | Resolution: 2.2 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 28378915 | DOI: 10.1002/pro.3172 | |
Protein |
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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 |
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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 |
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Database Name | Value |
PDBBind | Ki : 2700000 nM |