Issue 39, 2012
From the journal:

Chemical Communications

Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations†

Sayoko Yamamoto,‡ab   Ying Zhang,‡abc   Takumi Yamaguchi,abc   Tomoshi Kamedad  and  Koichi Kato*abc  

* Corresponding authors

a Graduate School of Pharmaceutical Sciences, Nagoya City University, 3-1 Tanabe-dori, Mizuho-ku, Nagoya, Japan

b Institute for Molecular Science and Okazaki Institute for Integrative Bioscience, 5-1 Higashiyama, Myodaiji, Okazaki, Japan
E-mail: kkatonmr@ims.ac.jp
Fax: +81-564-59-5224
Tel: +81-564-59-5225

c Department of Functional Molecular Science, The Graduate University for Advanced Studies, 5-1 Higashiyama, Myodaiji, Okazaki, Japan

d Computational Biology Research Center, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto, Tokyo, Japan

Abstract

A novel methodology is presented for evaluating a dynamic ensemble of oligosaccharide conformations by lanthanide-assisted NMR spectroscopy combined with molecular dynamics (MD) simulations. The results obtained using the GM3 trisaccharide demonstrated that pseudocontact shift measurements offer a valuable experimental tool for the validation of MD simulations of highly flexible biomolecules.

Graphical abstract: Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

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Article information

DOI
https://doi.org/10.1039/C2CC30353A
Article type
Communication
Submitted
16 Jan 2012
Accepted
19 Mar 2012
First published
20 Mar 2012

Chem. Commun., 2012,48, 4752-4754

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Lanthanide-assisted NMR evaluation of a dynamic ensemble of oligosaccharide conformations

S. Yamamoto, Y. Zhang, T. Yamaguchi, T. Kameda and K. Kato, Chem. Commun., 2012, 48, 4752 DOI: 10.1039/C2CC30353A

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