› 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 entry 4av5 coloured by chain, front view.
PDB entry 4av5 coloured by chain, side view.
PDB entry 4av5 coloured by chain, top view.
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 51 4790-9 (2012)
PMID: 22657089

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140004 (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)

Quick links

Citations

10 review citations

FimH and Anti-Adhesive Therapeutics: A Disarming Strategy Against Uropathogens.
Sarshar et al. (2020)
9 more

6 mentions without citation

Sites for Dynamic Protein-Carbohydrate Interactions of O- and C-Linked Mannosides on the E. coli FimH Adhesin.
Touaibia et al. (2017)
5 more