| Literature DB >> 2328229 |
C J Edge1, U C Singh, R Bazzo, G L Taylor, R A Dwek, T W Rademacher.
Abstract
Molecular dynamics simulations of the Man alpha 1----2Man alpha glycosidic linkage found in the N-linked glycans of glycoproteins were performed in vacuo and in the presence of water. In the latter case significant dampening of the molecular fluctuations was found when compared to the in vacuo simulation. A 500-ps dynamics simulation in water showed only occasional short-lived deviations from the minimum-energy conformation, more consistent with carbohydrate "breathing" than flexibility. These studies add further evidence that oligosaccharides can maintain "fixed" geometries with relatively long lifetimes and are in agreement with experimental NMR-derived parameters for the same linkage in oligomannose structures.Entities:
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Year: 1990 PMID: 2328229 DOI: 10.1021/bi00460a001
Source DB: PubMed Journal: Biochemistry ISSN: 0006-2960 Impact factor: 3.162