› 4ca4

X-ray diffraction
2.84Å resolution

Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside

Released:
DOI: 10.2210/pdb4ca4/pdb
PDB entry 4ca4 coloured by chain, front view.
PDB entry 4ca4 coloured by chain, side view.
PDB entry 4ca4 coloured by chain, top view.
Source organism: Escherichia coli UTI89
Primary publication:
Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
Rabbani S, Krammer EM, Roos G, Zalewski A, Preston R, Eid S, Zihlmann P, Prévost M, Lensink MF, Thompson A, Ernst B, Bouckaert J
OpenAccess logo IUCrJ 4 7-23 (2017)
PMID: 28250938

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106846 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FimH mannose-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 158 amino acids
Theoretical weight: 16.82 KDa
Source organism: Escherichia coli UTI89
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A2IC68 (Residues: 10-167; Coverage: 70%)
Gene name: fimH
Sequence domains: FimH, mannose binding
Structure domains: Fimbrial-type adhesion domain

Ligands and Environments

1 bound ligand:
Ligand KGM 2 x KGM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P43212
Unit cell:
a: 89.85Å b: 89.85Å c: 91.87Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.185 0.244
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

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

1 mention without citation

Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
Rabbani et al. (2017)