› 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 4avi coloured by chain and viewed from the front.
PDB 4avi coloured by chain and viewed from the side.
PDB 4avi 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
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

8 review citations

Neutralizing Antibodies Against Allosteric Proteins: Insights From a Bacterial Adhesin.
Sokurenko et al. (2022)
7 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