2j47

X-ray diffraction
1.98Å resolution

Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183580 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
O-GlcNAcase BT_4395 Chain: A
Molecule details ›
Chain: A
Length: 716 amino acids
Theoretical weight: 82.32 KDa
Source organism: Bacteroides thetaiotaomicron VPI-5482
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q89ZI2 (Residues: 22-737; Coverage: 100%)
Gene name: BT_4395
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C2
Unit cell:
a: 188.426Å b: 51.34Å c: 85.474Å
α: 90° β: 100.22° γ: 90°
R-values:
R R work R free
0.193 0.192 0.229
Expression system: Escherichia coli BL21