› 4pee

X-ray diffraction
1.95Å resolution

Crystal structure of a bacterial fucosidase with inhibitor 1-phenyl-4-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]triazole

Released:
DOI: 10.2210/pdb4pee/pdb
PDB entry 4pee coloured by chain, front view.
PDB entry 4pee coloured by chain, side view.
PDB entry 4pee coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Primary publication:
Exploiting the hydrophobic terrain in fucosidases with aryl-substituted pyrrolidine iminosugars.
Hottin A, Wright DW, Davies GJ, Behr JB
Chembiochem 16 277-83 (2015)
PMID: 25427942

Function and Biology Details

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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 447 amino acids
Theoretical weight: 51.75 KDa
Source organism: Bacteroides thetaiotaomicron VPI-5482
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8A3I4 (Residues: 35-480; Coverage: 98%)
Gene name: BT_2970
Sequence domains: Alpha-L-fucosidase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 7 x SO4
Ligand IMD 5 x IMD
Ligand 2OX 4 x 2OX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 56.04Å b: 187.59Å c: 97.7Å
α: 90° β: 94.26° γ: 90°
R-values:
R R work R free
0.193 0.191 0.229
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Glycoside Mimics from Glycosylamines: Recent Progress.
Nicolas et al. (2018)
1 more