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› 2jiw

X-ray diffraction
1.95Å resolution

Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine

Released:
DOI: 10.2210/pdb2jiw/pdb
Model geometry
Fit model/data
PDB entry 2jiw coloured by chain, front view.
PDB entry 2jiw coloured by chain, side view.
PDB entry 2jiw coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Primary publication:
A 1-acetamido derivative of 6-epi-valienamine: an inhibitor of a diverse group of beta-N-acetylglucosaminidases.
Scaffidi A, Stubbs KA, Dennis RJ, Taylor EJ, Davies GJ, Vocadlo DJ, Stick RV
Org Biomol Chem 5 3013-9 (2007)
PMID: 17728868

Function and Biology Details

Reaction catalysed: 
(1) 3-O-(N-acetyl-beta-D-glucosaminyl)-L-seryl-[protein] + H2O =N-acetyl-D-glucosamine + L-seryl-[protein].
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

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 Chains: A, B
Molecule details ›
Chains: A, B
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

1 bound ligand:
Ligand BEU 2 x BEU
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P1
Unit cell:
a: 51.398Å b: 94.131Å c: 99.808Å
α: 104.97° β: 94.09° γ: 102.48°
R-values:
R R work R free
0.208 0.206 0.248
Expression system: Escherichia coli BL21

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Citations

2 review citations

Bacterial cell-wall recycling.
Johnson et al. (2013)
1 more

1 mention without citation

Slimy partners: the mucus barrier and gut microbiome in ulcerative colitis.
Fang et al. (2021)