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

Sayoko Yamamoto; Ying Zhang; Takumi Yamaguchi; Tomoshi Kameda; Koichi Kato

doi:10.1039/c2cc30353a

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

Chem Commun (Camb). 2012 May 16;48(39):4752-4. doi: 10.1039/c2cc30353a. Epub 2012 Apr 4.

Authors

Sayoko Yamamoto¹, Ying Zhang, Takumi Yamaguchi, Tomoshi Kameda, Koichi Kato

Affiliation

¹ Graduate School of Pharmaceutical Sciences, Nagoya City University, 3-1 Tanabe-dori, Nagoya, Japan.

PMID: 22472911
DOI: 10.1039/c2cc30353a

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Lanthanoid Series Elements / chemistry*
Magnetic Resonance Spectroscopy*
Molecular Conformation
Molecular Dynamics Simulation*
Oligosaccharides / chemistry*

Substances

Lanthanoid Series Elements
Oligosaccharides