› 4av5

X-ray diffraction
1.4Å resolution

Structure of a triclinic crystal of the FimH lectin domain in complex with a propynyl biphenyl alpha-D-mannoside, at 1.4 A resolution

Released:
DOI: 10.2210/pdb4av5/pdb
PDB 4av5 coloured by chain and viewed from the front.
PDB 4av5 coloured by chain and viewed from the side.
PDB 4av5 coloured by chain and viewed from the top.
Source organism: Escherichia coli UTI89
Primary publication:
The Tyrosine Gate as a Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin FimH.
Wellens A, Lahmann M, Touaibia M, Vaucher J, Oscarson S, Roy R, Remaut H, Bouckaert J
Biochemistry (2012)
PMID: 22657089

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Type 1 fimbrin D-mannose specific adhesin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 158 amino acids
Theoretical weight: 16.92 KDa
Source organism: Escherichia coli UTI89
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08191 (Residues: 22-179; Coverage: 57%)
Gene names: JW4283, b4320, fimH
Sequence domains: FimH, mannose binding
Structure domains: Fimbrial-type adhesion domain

Ligands and Environments

2 bound ligands:
Ligand FYZ 4 x FYZ
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P1
Unit cell:
a: 50.75Å b: 51.52Å c: 67.83Å
α: 100.32° β: 93.17° γ: 116.56°
R-values:
R R work R free
0.14 0.139 0.162
Expression system: Escherichia coli BL21(DE3)

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Citations

9 review citations

Neutralizing Antibodies Against Allosteric Proteins: Insights From a Bacterial Adhesin.
Sokurenko et al. (2022)
8 more

5 mentions without citation

Structures of C-mannosylated anti-adhesives bound to the type 1 fimbrial FimH adhesin.
de Ruyck et al. (2016)
4 more