Solution dynamics of the oligosaccharide moiety of ganglioside GM1: comparison of solution conformations with the bound state conformation in association with cholera toxin B-pentamer

J M Richardson, Mark J Milton, Steve W Homans

Research output: Contribution to journalArticlepeer-review

Abstract

The solution dynamics of the oligosaccharide moiety of ganglioside GM1 have been determined by use of a combination of 1H rotating frame Overhauser effect measurements and restrained molecular dynamics simulations. It is found that the Galbeta1-3 and NeuNAc moieties which are primarily recognized by cholera toxin both exhibit considerable torsional flexibility about their respective glycosidic linkages. A comparison with the bound state conformation of the ganglioside in association with cholera toxin B-pentamer, shows that a low energy conformation of the oligosaccharide, which closely approximates the global minimum, is selected upon binding.
Original languageEnglish
Pages (from-to)358-362
Number of pages5
JournalJournal of Molecular Recognition
Volume8
Issue number6
DOIs
Publication statusPublished - 30 Nov 1995

Keywords

  • ganglioside GM1
  • glycolipid
  • oligosaccharide
  • NMR
  • molecular dynamics

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