title: NMR studies on the conformation of oligomannosides and their interaction with banana lectin.
abstract: The conformational and dynamic behaviour of three mannose containing oligosaccharides, a tetrasaccharide with alpha1-->2, and alpha1-->3, and a penta and a heptasaccharide with alpha1-->2, alpha1-->3, and alpha1-->6 linkages has been evaluated by molecular mechanics and dynamics simulations and NMR spectroscopical methods. It is found that they display a fair amount of conformational freedom, with one major and one minor conformation per glycosidic linkage. The evaluation of their recognition by banana lectin has also been performed by STD NMR methods and a preliminary view of their putative interaction mode has been carried out by means of docking procedures.
authors.affiliation: Laboratory of Glyconanotechnology, CIC biomaGUNE, Paseo Miramón 182, 20009 San Sebastián, Spain.
authors.forename: Caroline
authors.initials: C
authors.lastname: Clavel
authors.forename: Angeles
authors.initials: A
authors.lastname: Canales
authors.forename: Garima
authors.initials: G
authors.lastname: Gupta
authors.forename: J Ignacio
authors.initials: JI
authors.lastname: Santos
authors.forename: F Javier
authors.initials: FJ
authors.lastname: Cañada
authors.forename: Soledad
authors.initials: S
authors.lastname: Penadés
authors.forename: Avadesha
authors.initials: A
authors.lastname: Surolia
authors.forename: Jesús
authors.initials: J
authors.lastname: Jiménez-Barbero
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D028521:Musa / Q000737:chemistry*; D019906:Nuclear Magnetic Resonance, Biomolecular; D009844:Oligosaccharides / Q000737:chemistry / Q000378:metabolism; D037121:Plant Lectins / Q000737:chemistry / Q000378:metabolism*
chemical_list: D009844:Oligosaccharides; D037121:Plant Lectins; C028569:oligomannoside