PDB Entry (5hjr)
PDB ID: 5hjr Resolution: 2.4 Å Exp. Method: X-RAY DIFFRACTION
PMID: 27462106 DOI: 10.1073/pnas.1604463113
Protein
Protein Name: Neutral alpha-glucosidase AB
Uniprot ID/ACC: Q8BHN3 (GANAB_MOUSE) Organism: Mus musculus (Mouse)
Gene Symbol: Ganab Gene ID: 14376
Protein Class: HYDROLASE
Ligand
Ligand Name:   5-fluoro-beta-D-glucopyranose
Canonical SMILES:   OC[C@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O
Standard InChI:   InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1
HET Code:   5GF PubChem:   66563684
DrugBank:   - ChEMBL:   -
Molecular Formula:   C6H11FO6 Mol. Weight:   198.05397 logP:   -2.9242
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 ASP 564 A 15.27 10.37 Hemiacetal
Binding Affinity
-