› 2xm1

X-ray diffraction
2Å resolution

BtGH84 in complex with N-acetyl gluconolactam

Released:
DOI: 10.2210/pdb2xm1/pdb
PDB entry 2xm1 coloured by chain, front view.
PDB entry 2xm1 coloured by chain, side view.
PDB entry 2xm1 coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Primary publication:
Inhibition of a bacterial O-GlcNAcase homologue by lactone and lactam derivatives: structural, kinetic and thermodynamic analyses.
He Y, Bubb AK, Stubbs KA, Gloster TM, Davies GJ
Amino Acids 40 829-39 (2011)
PMID: 20689974

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:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-567655 (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

2 bound ligands:
Ligand GOL 4 x GOL
Ligand LTM 2 x LTM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P1
Unit cell:
a: 51.398Å b: 94.081Å c: 99.462Å
α: 104.7° β: 94.02° γ: 102.92°
R-values:
R R work R free
0.182 0.18 0.22
Expression system: Escherichia coli BL21

Quick links

Citations

8 citation in other articles

Structures of human O-GlcNAcase and its complexes reveal a new substrate recognition mode.
Li et al. (2017)
7 more

1 mention without citation

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