› 6y6s

X-ray diffraction
2.1Å resolution

Mouse Galactocerebrosidase complexed with galacto-noeurostegine GNS at pH 6.8

Released:
DOI: 10.2210/pdb6y6s/pdb
PDB entry 6y6s coloured by chain, front view.
PDB entry 6y6s coloured by chain, side view.
PDB entry 6y6s coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
The Bicyclic Form of galacto-Noeurostegine Is a Potent Inhibitor of β-Galactocerebrosidase.
Viuff A, Salamone S, McLoughlin J, Deane JE, Jensen HH
ACS Med Chem Lett 12 56-59 (2021)
PMID: 33488964

Function and Biology Details

Reaction catalysed: 
D-galactosyl-N-acylsphingosine + H(2)O = D-galactose + N-acylsphingosine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157108 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Galactocerebrosidase Chain: A
Molecule details ›
Chain: A
Length: 654 amino acids
Theoretical weight: 74.6 KDa
Source organism: Mus musculus
Expression system: Homo sapiens
UniProt:
  • Canonical: P54818 (Residues: 41-684; Coverage: 100%)
Gene name: Galc
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
4 bound ligands:
Ligand ODW 1 x ODW
Ligand NAG 1 x NAG
Ligand CA 1 x CA
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: R32
Unit cell:
a: 248.721Å b: 248.721Å c: 77.326Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.165 0.163 0.201
Expression system: Homo sapiens

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