› 4lov

X-ray diffraction
1.5Å resolution

Crystal structure of FimH in complex with Heptylmannoside

Released:
DOI: 10.2210/pdb4lov/pdb
PDB entry 4lov coloured by chain, front view.
PDB entry 4lov coloured by chain, side view.
PDB entry 4lov coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Study of the structural and dynamic effects in the FimH adhesin upon α-d-heptyl mannose binding.
Vanwetswinkel S, Volkov AN, Sterckx YG, Garcia-Pino A, Buts L, Vranken WF, Bouckaert J, Roy R, Wyns L, van Nuland NA
J Med Chem 57 1416-27 (2014)
PMID: 24476493

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
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 KGM 1 x KGM
Ligand GOL 1 x GOL
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 39.9Å b: 41.82Å c: 97.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.19
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Organizing multivalency in carbohydrate recognition.
Müller et al. (2016)
4 more

2 mentions without citation

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