NMR studies on the conformation of oligomannosides and their interaction with banana lectin |
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Authors: | Caroline Clavel Angeles Canales Garima Gupta J. Ignacio Santos F. Javier Cañada Soledad Penadés Avadesha Surolia Jesús Jiménez-Barbero |
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Affiliation: | (1) Laboratory of Glyconanotechnology, CIC biomaGUNE, Paseo Miramón 182., 20009 San Sebastián, Spain;(2) CIB-CSIC, Ramiro de Maeztu 9, 28040 Madrid, Spain;(3) Indian Institute of Science, Bangalore, 560 012, India |
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Abstract: | The conformational and dynamic behaviour of three mannose containing oligosaccharides, a tetrasaccharide with α1→2, and α1→3, and a penta and a heptasaccharide with α1→2, α1→3, and α1→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. |
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Keywords: | Mannose oligosaccharides NMR Molecular dynamics Banana lectin Molecular recognition |
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