PDB Entry (6qud)
PDB ID: 6qud Resolution: 2.1 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: -
Protein
Protein Name: Beta-galactosidase
Uniprot ID/ACC: Q9F4D5 (Q9F4D5_BIFBI) Organism: Bifidobacterium bifidum
Gene Symbol: - Gene ID: -
Protein Class: SIGNALING PROTEIN
Ligand
Ligand Name:   2-deoxy-alpha-D-galactopyranose
Canonical SMILES:   O[C@@H]1C[C@@H](O)O[C@@H]([C@@H]1O)CO
Standard InChI:   InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1
HET Code:   2DG PubChem:   446586
DrugBank:   DB04382 ChEMBL:   CHEMBL1229907
Molecular Formula:   C6H12O5 Mol. Weight:   164.06847 logP:   -2.1922
HBD:   4 HBA:   5
#Rotatable Bonds:   1 TPSA:   90.15
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Nucleophilic Acyl Substitution GLU 565 A 15.98 8.37 Hemiacetal
Binding Affinity
-