› 6moz

X-ray diffraction
2.1Å resolution

Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor

Released:
DOI: 10.2210/pdb6moz/pdb
PDB entry 6moz coloured by chain, front view.
PDB entry 6moz coloured by chain, side view.
PDB entry 6moz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of β-glucocerebrosidase inhibition.
Martínez-Bailén M, Carmona AT, Patterson-Orazem AC, Lieberman RL, Ide D, Kubo M, Kato A, Robina I, Moreno-Vargas AJ
Bioorg Chem 86 652-664 (2019)
PMID: 30825709

Function and Biology Details

Reactions catalysed: 
D-glucosyl-N-acylsphingosine + H(2)O = D-glucose + N-acylsphingosine
D-galactosyl-N-acylsphingosine + H(2)O = D-galactose + N-acylsphingosine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137377 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lysosomal acid glucosylceramidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 497 amino acids
Theoretical weight: 55.64 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P04062 (Residues: 40-536; Coverage: 100%)
Gene names: GBA, GBA1, GC, GLUC
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand NAG 2 x NAG
Ligand NA 32 x NA
Ligand JXA 1 x JXA
Ligand PO4 6 x PO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 110.28Å b: 285.01Å c: 91.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.228
Expression system: Cricetulus griseus

Quick links

Citations

3 review citations

Glucocerebrosidase as a therapeutic target for Parkinson's disease.
Chen et al. (2020)
2 more