Literature DB >> 2328229

500-picosecond molecular dynamics in water of the Man alpha 1----2Man alpha glycosidic linkage present in Asn-linked oligomannose-type structures on glycoproteins.

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:  

Mesh:

Substances:

Year:  1990        PMID: 2328229     DOI: 10.1021/bi00460a001

Source DB:  PubMed          Journal:  Biochemistry        ISSN: 0006-2960            Impact factor:   3.162


  12 in total

1.  Dynamics of glycolipids in the liquid-crystalline state. 2H NMR study.

Authors:  B G Winsborrow; I C Smith; H C Jarrell
Journal:  Biophys J       Date:  1991-03       Impact factor: 4.033

2.  Assessing glycosidic linkage flexibility: conformational analysis of the repeating trisaccharide unit of Aeromonas salmonicida.

Authors:  T Peters; T Weimar
Journal:  J Biomol NMR       Date:  1994-01       Impact factor: 2.835

Review 3.  Predicting the Structures of Glycans, Glycoproteins, and Their Complexes.

Authors:  Robert J Woods
Journal:  Chem Rev       Date:  2018-08-09       Impact factor: 60.622

4.  Solution conformation and dynamics of a fungal cell wall polysaccharide isolated from Microsporum gypseum.

Authors:  A Poveda; M Martin-Pastor; M Bernabe; J A Leal; J Jimenez-Barbero
Journal:  Glycoconj J       Date:  1998-03       Impact factor: 2.916

Review 5.  Adhesin receptors of human oral bacteria and modeling of putative adhesin-binding domains.

Authors:  F J Cassels; C V Hughes; J L Nauss
Journal:  J Ind Microbiol       Date:  1995-09

6.  Carbohydrate force fields.

Authors:  B Lachele Foley; Matthew B Tessier; Robert J Woods
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2012-07

7.  Primary sequence dependence of conformation in oligomannose oligosaccharides.

Authors:  E W Wooten; R Bazzo; C J Edge; S Zamze; R A Dwek; T W Rademacher
Journal:  Eur Biophys J       Date:  1990       Impact factor: 1.733

8.  NMR studies on the conformation of oligomannosides and their interaction with banana lectin.

Authors:  Caroline Clavel; Angeles Canales; Garima Gupta; J Ignacio Santos; F Javier Cañada; Soledad Penadés; Avadesha Surolia; Jesús Jiménez-Barbero
Journal:  Glycoconj J       Date:  2007-05-11       Impact factor: 2.916

9.  Influence of the membrane surface on glycolipid conformation and dynamics. An interpretation of NMR results using conformational energy calculations.

Authors:  B G Winsborrow; J R Brisson; I C Smith; H C Jarrell
Journal:  Biophys J       Date:  1992-08       Impact factor: 4.033

10.  The solution conformation of sialyl-alpha (2----6)-lactose studied by modern NMR techniques and Monte Carlo simulations.

Authors:  L Poppe; R Stuike-Prill; B Meyer; H van Halbeek
Journal:  J Biomol NMR       Date:  1992-03       Impact factor: 2.835

View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.