NMR studies on the conformation of oligomannosides and their interaction with banana lectin.
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.
Clavel
Caroline
C
Laboratory of Glyconanotechnology, CIC biomaGUNE, Paseo Miramón 182, 20009 San Sebastián, Spain.
Canales
Angeles
A
Gupta
Garima
G
Santos
J Ignacio
JI
Cañada
F Javier
FJ
Penadés
Soledad
S
Surolia
Avadesha
A
Jiménez-Barbero
Jesús
J
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*
D009844:Oligosaccharides; D037121:Plant Lectins; C028569:oligomannoside