› 4jl1

X-ray diffraction
1.68Å resolution

Crystal structure of a bacterial fucosidase with a multivalent iminocyclitol inhibitor

Released:
DOI: 10.2210/pdb4jl1/pdb
PDB entry 4jl1 coloured by chain, front view.
PDB entry 4jl1 coloured by chain, side view.
PDB entry 4jl1 coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Primary publication:
Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
Moreno-Clavijo E, Carmona AT, Moreno-Varga AJ, Molina L, Wright DW, Davies GJ, Robina I
Eur. J. Org. Chem. 2013 7328-7336 (2013)

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
Molecule details ›
Chains: A, B
Length: 450 amino acids
Theoretical weight: 52.08 KDa
Source organism: Bacteroides thetaiotaomicron VPI-5482
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8A3I4 (Residues: 35-484; Coverage: 99%)
Gene name: BT_2970
Sequence domains: Alpha-L-fucosidase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand LM5 2 x LM5
Ligand SO4 6 x SO4
Ligand IMD 6 x IMD
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 68.378Å b: 96.047Å c: 97.204Å
α: 90° β: 91.29° γ: 90°
R-values:
R R work R free
0.166 0.165 0.192
Expression system: Escherichia coli BL21(DE3)

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