OLIGOSACCHARIDES RELATED TO TUMOR-ASSOCIATE ANTIGENS .4. MODELING OF THE TERMINAL TETRASACCHARIDE OF AN ANTIGEN RECOGNIZED BY THE MBR1 ANTIBODY AND OF OVERLAPPING DISACCHARIDE AND TRISACCHARIDE SEQUENCES
L. Toma et al., OLIGOSACCHARIDES RELATED TO TUMOR-ASSOCIATE ANTIGENS .4. MODELING OF THE TERMINAL TETRASACCHARIDE OF AN ANTIGEN RECOGNIZED BY THE MBR1 ANTIBODY AND OF OVERLAPPING DISACCHARIDE AND TRISACCHARIDE SEQUENCES, Helvetica Chimica Acta, 78(3), 1995, pp. 636-646
The conformational space of the tetrasaccharide alpha-L-Fuc-(1 --> 2)-
beta-D-Gal-(1 --> 3)-beta-D-GalNAc-(1 --> 3)-alpha -D-Gal1Pr (3) and o
f some overlapping di- and trisaccharide sequences was investigated wi
th the aid of molecular-mechanics energy minimizations, molecular-dyna
mics simulations, and H-1-NMR analysis. These investigations suggested
that in compound:) a certain rigidity of the first two glycosidic lin
kages (Fuc-Gal and Gal-GalNAc) is combined with the flexibility of the
third one (GalNAc-Gal).