Computer modelling of the transmembrane channel formed by a CNBr peptide of diphtheria toxin B fragment

FEMS Microbiol Immunol. 1992 Sep;5(1-3):113-9. doi: 10.1111/j.1574-6968.1992.tb05893.x.

Abstract

Diphtheria toxin (DT) forms transmembrane, voltage-dependent channels in a planar lipid bilayer. Channels with similar characteristics were obtained with CB1, a cyanogen bromide peptide of diphtheria toxin B fragment (DTB) (res 340-459). Tryptophan 398 is in interaction with the hydrophobic core of the lipid bilayer. Using the Eisenberg method in association with the Shiffer-Edmunson wheel representation, we have identified two amphipathic alpha-helices within CB1 (res 346-364 and 389-406) that could be involved in the interaction with lipids. Bearing this information in mind, we are providing a model for the structure of the CB1 channel.

MeSH terms

  • Amino Acid Sequence
  • Computer Simulation*
  • Diphtheria Toxin / chemistry*
  • Diphtheria Toxin / toxicity
  • Fluorescence
  • Ion Channels / drug effects*
  • Lipid Bilayers
  • Molecular Sequence Data
  • Peptide Fragments / chemistry
  • Peptide Fragments / toxicity
  • Protein Conformation

Substances

  • Diphtheria Toxin
  • Ion Channels
  • Lipid Bilayers
  • Peptide Fragments
  • diphtheria toxin fragment B