› 4av4

X-ray diffraction
1.9Å resolution

FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to a propynyl pyridine

Released:
DOI: 10.2210/pdb4av4/pdb
PDB entry 4av4 coloured by chain, front view.
PDB entry 4av4 coloured by chain, side view.
PDB entry 4av4 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 Chain: A
Molecule details ›
Chain: A
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

1 bound ligand:
Ligand FVQ 1 x FVQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 33.47Å b: 41.89Å c: 95.05Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.178 0.242
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