PDB Entry (1jz3)
PDB ID: 1jz3 Resolution: 1.75 Å Exp. Method: X-RAY DIFFRACTION
PMID: 11732897 DOI: 10.1021/bi011727i
Protein
Protein Name: Beta-galactosidase
Uniprot ID/ACC: P00722 (BGAL_ECOLI) Organism: Escherichia coli (strain K12)
Gene Symbol: lacZ Gene ID: 945006
Protein Class: HYDROLASE
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 537 A 10.46 7.5 Hemiacetal
Binding Affinity
-