CH-π "T-shape" interaction with histidine explains binding of aromatic galactosides to Pseudomonas aeruginosa lectin LecA

ACS Chem Biol. 2013 Sep 20;8(9):1925-30. doi: 10.1021/cb400303w. Epub 2013 Jul 31.

Abstract

The galactose specific lectin LecA mediates biofilm formation in the opportunistic pathogen P. aeruginosa . The interaction between LecA and aromatic β-galactoside biofilm inhibitors involves an intermolecular CH-π T-shape interaction between C(ε1)-H of residue His50 in LecA and the aromatic ring of the galactoside aglycone. The generality of this interaction was tested in a diverse family of β-galactosides. LecA binding to aromatic β-galactosides (KD ∼ 8 μM) was consistently stronger than to aliphatic β-galactosides (KD ∼ 36 μM). The CH-π interaction was observed in the X-ray crystal structures of six different LecA complexes, with shorter than the van der Waals distances indicating productive binding. Related XH/cation/π-π interactions involving other residues were identified in complexes of aromatic glycosides with a variety of carbohydrate binding proteins such as concanavalin A. Exploiting such interactions might be generally useful in drug design against these targets.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Bacterial Proteins / chemistry
  • Bacterial Proteins / metabolism*
  • Binding Sites
  • Biofilms / growth & development
  • Crystallography, X-Ray
  • Galactosides / chemistry
  • Galactosides / metabolism*
  • Histidine / chemistry
  • Histidine / metabolism*
  • Lectins / chemistry
  • Lectins / metabolism*
  • Models, Molecular
  • Pseudomonas aeruginosa / chemistry
  • Pseudomonas aeruginosa / physiology*

Substances

  • Bacterial Proteins
  • Galactosides
  • Lectins
  • beta-galactoside
  • Histidine