› 5cgb

X-ray diffraction
1.6Å resolution

Crystal structure of FimH in complex with heptyl alpha-D-septanoside

Released:
DOI: 10.2210/pdb5cgb/pdb
PDB entry 5cgb coloured by chain, front view.
PDB entry 5cgb coloured by chain, side view.
PDB entry 5cgb coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
The price of flexibility - a case study on septanoses as pyranose mimetics.
Sager CP, Fiege B, Zihlmann P, Vannam R, Rabbani S, Jakob RP, Preston RC, Zalewski A, Maier T, Peczuh MW, Ernst B
OpenAccess logo Chem Sci 9 646-654 (2018)
PMID: 29629131

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 158 amino acids
Theoretical weight: 16.92 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
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

2 bound ligands:
Ligand 51C 2 x 51C
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 63.58Å b: 68.55Å c: 95.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.16 0.179
Expression system: Escherichia coli

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Citations

6 review citations

Strategies for the Development of Glycomimetic Drug Candidates.
Hevey R. (2019)
5 more

3 mentions without citation

Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation-The Example of FimH.
Krammer et al. (2018)
2 more