› 3mcy

X-ray diffraction
2.9Å resolution

Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.

Released:
DOI: 10.2210/pdb3mcy/pdb
PDB entry 3mcy coloured by chain, front view.
PDB entry 3mcy coloured by chain, side view.
PDB entry 3mcy coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure-based drug design and optimization of mannoside bacterial FimH antagonists.
Han Z, Pinkner JS, Ford B, Obermann R, Nolan W, Wildman SA, Hobbs D, Ellenberger T, Cusumano CK, Hultgren SJ, Janetka JW
J Med Chem 53 4779-92 (2010)
PMID: 20507142

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-193395 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FimH Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 181 amino acids
Theoretical weight: 19.5 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q9S497 (Residues: 22-196; Coverage: 63%)
Gene name: fimH
Sequence domains: FimH, mannose binding
Structure domains: Fimbrial-type adhesion domain

Ligands and Environments

4 bound ligands:
Ligand ZH1 4 x ZH1
Ligand GOL 3 x GOL
Ligand CA 4 x CA
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P4132
Unit cell:
a: 198.82Å b: 198.82Å c: 198.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.219 0.245
Expression system: Escherichia coli K-12

Quick links

Citations

36 review citations

Strategies for combating bacterial biofilms: A focus on anti-biofilm agents and their mechanisms of action.
Roy et al. (2018)
35 more

12 mentions without citation

Rational design strategies for FimH antagonists: new drugs on the horizon for urinary tract infection and Crohn's disease.
Mydock-McGrane et al. (2017)
11 more