› 4avi

X-ray diffraction
2.4Å resolution

Structure of the FimH lectin domain in the trigonal space group, in complex with a methyl ester octyl alpha-D-mannoside at 2.4 A resolution

Released:
DOI: 10.2210/pdb4avi/pdb
PDB entry 4avi coloured by chain, front view.
PDB entry 4avi coloured by chain, side view.
PDB entry 4avi 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
Molecule details ›
Chains: A, B
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

3 bound ligands:
Ligand XNS 2 x XNS
Ligand SO4 1 x SO4
Ligand NI 2 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P3121
Unit cell:
a: 90.62Å b: 90.62Å c: 79.7Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.144 0.14 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

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

3 mentions without citation

Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation-The Example of FimH.
Krammer et al. (2018)
2 more