Solution conformation of carbohydrates: a view by using NMR assisted by modeling

Methods Mol Biol. 2015:1273:261-87. doi: 10.1007/978-1-4939-2343-4_19.

Abstract

Structural elucidation of complex carbohydrates in solution is not a trivial task. From the NMR view point, the limited chemical shift dispersion of sugar NMR spectra demands the combination of a variety of NMR techniques as well as the employment of molecular modeling methods. Herein, a general protocol for assignment of resonances and determination of inter-proton distances within the saccharides by homonuclear and heteronuclear experiments (i.e., (1)H and (13)C) is described. In addition, several computational tools and procedures for getting a final ensemble of geometries that represent the structure in solution are presented.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbohydrate Conformation*
  • Carbohydrate Sequence
  • Carbohydrates / chemistry*
  • Carbon-13 Magnetic Resonance Spectroscopy
  • Magnetic Resonance Spectroscopy / methods*
  • Models, Molecular*
  • Molecular Dynamics Simulation
  • Molecular Weight
  • Proton Magnetic Resonance Spectroscopy

Substances

  • Carbohydrates