TY - JOUR
T1 - Interaction of heparin with Ca2+: A model study with a synthetic heparin-like hexasaccharide
AU - Angulo, Jesús
AU - De Paz, José-Luis
AU - Nieto, Pedro M.
AU - Martín-Lomas, Manuel
PY - 2001/5
Y1 - 2001/5
N2 - The binding of Ca2+ to synthetic hexasaccharide 1, containing the structural motifs of the regular region of heparin, has been investigated using NMR spectroscopy and molecular modeling. The NMR data of the calcium salt of 1 indicate the existence of specific Ca2+ binding, and molecular modeling results predict three different types of binding sites with different negative potential and preorganized geometry. The presence of Ca2+ does not seem to affect the overall helical structure of hexasaccharide 1, although it seems to have a marked influence on the flexibility of the oligosaccharide backbone.
AB - The binding of Ca2+ to synthetic hexasaccharide 1, containing the structural motifs of the regular region of heparin, has been investigated using NMR spectroscopy and molecular modeling. The NMR data of the calcium salt of 1 indicate the existence of specific Ca2+ binding, and molecular modeling results predict three different types of binding sites with different negative potential and preorganized geometry. The presence of Ca2+ does not seem to affect the overall helical structure of hexasaccharide 1, although it seems to have a marked influence on the flexibility of the oligosaccharide backbone.
U2 - 10.1560/9REV-7CHB-BB93-09UV
DO - 10.1560/9REV-7CHB-BB93-09UV
M3 - Article
SN - 0021-2148
VL - 40
SP - 289
EP - 299
JO - Israel Journal of Chemistry
JF - Israel Journal of Chemistry
IS - 3-4
ER -