NMR investigation of the bound conformation of natural and synthetic oligomannosides to banana lectin

The conformational behaviour of three mannose-containing oligosaccharides, namely, the α1→3[α1→6] trisaccharide, a heptasaccharide with α1→2, α1→3 and α1→6 linkages and a tetrasaccharide consisting of α1→3 and α1→2 linkages, when bound to banana lectin (BanLec) has been evaluated by trNOE NMR methods and docking calculations. It was found that the molecular recognition event involves a conformational selection process with only one of the conformations present in the free state of the sugar being recognised at the lectin binding site