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Glycoconjugate Journal

, Volume 11, Issue 5, pp 400–413 | Cite as

Molecular modelling of theDolichos biflorus seed lectin and its specific interactions with carbohydrates: α-D-N-acetyl-galactosamine, Forssman disaccharide and blood group A trisaccharide

  • Anne Imberty
  • Florence Casset
  • Colin V. Gegg
  • Marilynn E. Etzler
  • Serge Pérez
Lectin Papers

Abstract

The three-dimensional structure ofDolichos biflorus seed lectin has been constructed using five legume lectins for which high resolution crystal structures were available. The validity of the resulting model has been thoroughly investigated. Final structure optimization was conducted for the lectin complexed with αGalNAc, providing thereby the first three-dimensional structure of lectin/GalNAc complex. The role of theN-acetyl group was clearly evidenced by the occurrence of a strong hydrogen bond between the protein and the carbonyl oxygen of the carbohydrate and by hydrophobic interaction between the methyl group and aromatic amino acids. Since the lectin specificity is maximum for the Forssman disaccharide αGalNAc(1–3)βGalNAc-O-Me and the blood group A trisaccharide αGalNAc(1–3)[αFuc(1–2)]βGal-O-Me, the complexes with these oligosaccharides have been also modelled.

Keywords

molecular modelling lectin Dolichos biflorus blood group 

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Copyright information

© Chapman & Hall 1994

Authors and Affiliations

  • Anne Imberty
    • 1
  • Florence Casset
    • 2
  • Colin V. Gegg
    • 3
  • Marilynn E. Etzler
    • 3
  • Serge Pérez
    • 2
  1. 1.Laboratoire de Synthèse Organique-CNRSFaculté des Sciences et TechniquesNates cedex 03France
  2. 2.Ingénierie Moléculaire, INRANantes cedex 03, NantesFrance
  3. 3.Department of Biochemistry and BiophysicsUniversity of CaliforniaDavisUSA

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