› 4av0

X-ray diffraction
2.1Å resolution

Structure of the FimH lectin domain in the trigonal space group, in complex with a methoxy phenyl propynyl alpha-D-mannoside at 2.1 A resolution

Released:
DOI: 10.2210/pdb4av0/pdb
PDB 4av0 coloured by chain and viewed from the front.
PDB 4av0 coloured by chain and viewed from the side.
PDB 4av0 coloured by chain and viewed from the top.
Source organism: Escherichia coli UTI89
Entry authors: Wellens A, Lahmann M, Touaibia M, Vaucher J, Oscarson S, Roy R, Remaut H, Bouckaert J

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 HNV 2 x HNV
Ligand NI 2 x NI
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P3121
Unit cell:
a: 91.14Å b: 91.14Å c: 80.17Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.177 0.174 0.231
Expression system: Escherichia coli BL21(DE3)

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Citations

8 review citations

Developments in Mannose-Based Treatments for Uropathogenic Escherichia coli-Induced Urinary Tract Infections.
Hatton et al. (2021)
7 more

3 mentions without citation

Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of FimH.
Roos et al. (2013)
2 more