› 6aro

X-ray diffraction
1.2Å resolution

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside

Released:
DOI: 10.2210/pdb6aro/pdb
PDB entry 6aro coloured by chain, front view.
PDB entry 6aro coloured by chain, side view.
PDB entry 6aro coloured by chain, top view.
Source organism: Escherichia coli UTI89
Primary publication:
Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Kalas V, Hibbing ME, Maddirala AR, Chugani R, Pinkner JS, Mydock-McGrane LK, Conover MS, Janetka JW, Hultgren SJ
Proc Natl Acad Sci U S A 115 E2819-E2828 (2018)
PMID: 29507247

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-173042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FimH mannose-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 166 amino acids
Theoretical weight: 17.92 KDa
Source organism: Escherichia coli UTI89
Expression system: Escherichia coli
UniProt:
  • Canonical: Q1RBS0 (Residues: 25-184; Coverage: 57%)
Gene names: UTI89_C1716, fmlD
Sequence domains: FimH, mannose binding
Structure domains: Fimbrial-type adhesion domain

Ligands and Environments

2 bound ligands:
Ligand BS7 2 x BS7
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Unit cell:
a: 50.618Å b: 51.305Å c: 116.256Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.19
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Urinary tract infections: microbial pathogenesis, host-pathogen interactions and new treatment strategies.
Klein et al. (2020)
12 more

2 mentions without citation

Slimy partners: the mucus barrier and gut microbiome in ulcerative colitis.
Fang et al. (2021)
1 more