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Uncertainties in structural determinations of oligosaccharide conformation, using measurements of nuclear Overhauser effects

✍ Scribed by E. Wrenn Wooten; Christopher J. Edge; Renzo Bazzo; Raymond A. Dwek; Thomas W. Rademacher

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 277 KB
Volume: 203
Category: Article
ISSN: 0008-6215
DOI: 10.1016/0008-6215(90)80041-z

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✦ Synopsis

A fundamental problem in the determination of molecular structure by n.m.r. spectroscopy is insufficient experimental constraints. This problem is particularly marked for oligosaccharides, where few constraints are available across glycosidic linkages. By calculating distances as a function of dihedral angle, it is shown that, in general, two n.0.e. constraints result in two possible conformations for each glycosidic linkage, one of which can usually be discarded on the basis of model building or energy calculations. Using these calculations, an estimate of the uncertainty in the structure can be obtained.

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