› 2xii

X-ray diffraction
1.8Å resolution

CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH AN EXTENDED 9-FLUORENONE IMINOSUGAR INHIBITOR

Released:
DOI: 10.2210/pdb2xii/pdb
PDB entry 2xii coloured by chain, front view.
PDB entry 2xii coloured by chain, side view.
PDB entry 2xii coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron
Primary publication:
Structural and thermodynamic analyses of α-L-fucosidase inhibitors.
Lammerts van Bueren A, Popat SD, Lin CH, Davies GJ
Chembiochem 11 1971-4 (2010)
PMID: 20665773

Function and Biology Details

Reaction catalysed: 
An alpha-L-fucoside + H(2)O = L-fucose + an alcohol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183665 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-L-fucosidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 453 amino acids
Theoretical weight: 52.41 KDa
Source organism: Bacteroides thetaiotaomicron
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8A3I4 (Residues: 32-484; Coverage: 100%)
Gene name: BT_2970
Sequence domains: Alpha-L-fucosidase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand TYR 2 x TYR
Ligand TA9 2 x TA9
Ligand SO4 4 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Unit cell:
a: 104.466Å b: 85.08Å c: 120.21Å
α: 90° β: 108.52° γ: 90°
R-values:
R R work R free
0.189 0.187 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Development of fucosyltransferase and fucosidase inhibitors.
Tu et al. (2013)
8 other articles

3 mentions without citation

Diversity-guided Lamarckian random drift particle swarm optimization for flexible ligand docking.
Li et al. (2020)
2 more