› 2j62

X-ray diffraction
2.26Å resolution

Structure of a bacterial O-glcnacase in complex with glcnacstatin

Released:
DOI: 10.2210/pdb2j62/pdb
PDB entry 2j62 coloured by chain, front view.
PDB entry 2j62 coloured by chain, side view.
PDB entry 2j62 coloured by chain, top view.
Source organism: Clostridium perfringens
Primary publication:
GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
Dorfmueller HC, Borodkin VS, Schimpl M, Shepherd SM, Shpiro NA, van Aalten DM
J Am Chem Soc 128 16484-5 (2006)
PMID: 17177381

Function and Biology Details

Reaction catalysed: 
[Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine + H(2)O = [protein]-L-serine + N-acetyl-D-glucosamine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171164 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
O-GlcNAcase NagJ Chains: A, B
Molecule details ›
Chains: A, B
Length: 594 amino acids
Theoretical weight: 66.69 KDa
Source organism: Clostridium perfringens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q0TR53 (Residues: 31-624; Coverage: 61%)
Gene names: CPF_1442, nagJ
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 4 x CL
Ligand GSZ 2 x GSZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: I212121
Unit cell:
a: 130.254Å b: 145.92Å c: 152.571Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.179 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

40 review citations

Cross talk between O-GlcNAcylation and phosphorylation: roles in signaling, transcription, and chronic disease.
Hart et al. (2011)
39 more

6 mentions without citation

Structural and functional analysis of a glycoside hydrolase family 97 enzyme from Bacteroides thetaiotaomicron.
Kitamura et al. (2008)
5 more