PDB Entry (2zox)
PDB ID: 2zox Resolution: 1.9 Å Exp. Method: X-RAY DIFFRACTION
PMID: 18662675 DOI: 10.1016/j.bbrc.2008.07.089
Protein
Protein Name: Cytosolic beta-glucosidase
Uniprot ID/ACC: Q9H227 (GBA3_HUMAN) Organism: Homo sapiens (Human)
Gene Symbol: GBA3 Gene ID: 57733
Protein Class: HYDROLASE
Ligand
Ligand Name:   alpha-D-glucose
Canonical SMILES:   OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI:   InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
HET Code:   GLC PubChem:   79025
DrugBank:   - ChEMBL:   CHEMBL423707
Molecular Formula:   C6H12O6 Mol. Weight:   180.06339 logP:   -3.2214
HBD:   5 HBA:   6
#Rotatable Bonds:   1 TPSA:   110.38
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Nucleophilic Acyl Substitution GLU 373 A 17.82 8.07 Hemiacetal
Binding Affinity
-