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Solution Conformation of Carbohydrates: A View by Using NMR Assisted by Modeling

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Glycoinformatics

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1273))

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., 1H and 13C) is described. In addition, several computational tools and procedures for getting a final ensemble of geometries that represent the structure in solution are presented.

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Abbreviations

C12E5:

n-dodecyl-penta(ethylene-glycol)

C12E6:

n-dodecyl-hexa(ethylene-glycol)

C8E5:

n-octyl-penta(ethylene glycol)

CHAPSO:

3-(cholamidopropyl)-dimethylammonio-2-hydroxyl-1-propane sulfonate

COSY:

COrrelation SpectroscopY

DHPC:

1,2-di-hexanoyl-sn-glycero-3-phosphocholine

DIODPC:

1,2-di-O-dodecyl-sn-glycero-3-phosphocholine

DMPC:

1,2-di-tetradecanoyl-sn-glycero-3-phosphocholine

DQF-COSY:

Double Quantum COrrelated SpectroscopY

HMBC:

Heteronuclear Multiple Bond Correlation

HMQC:

Heteronuclear Multiple Quantum Coherence

HSQC:

Heteronuclear Single Quantum Coherence

NMR:

Nuclear magnetic resonance

NOESY:

Nuclear Overhauser Enhancement Spectroscopy

ROESY:

Rotating frame NOE

TOCSY:

Total Correlation SpectroscopY

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Acknowledgments

This work was supported by Ministry of Science and Innovation of Spain grant CTQ2012-32025.

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Authors and Affiliations

  1. Centro de Investigaciones Biológicas, CIB-CSIC, Madrid, Spain

    Dolores Díaz, F. Javier Cañada & Jesús Jiménez-Barbero

  2. Departamento Química Orgánica I, Facultad Ciencías Químicas, Universidad Complutense de Madrid, Avenida Complutense s/n., 28040, Madrid, Spain

    Angeles Canales-Mayordomo

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  1. Dolores Díaz
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  2. Angeles Canales-Mayordomo
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  3. F. Javier Cañada
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  4. Jesús Jiménez-Barbero
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Correspondence to Jesús Jiménez-Barbero .

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Editors and Affiliations

  1. Justus-Liebig-University, Giessen, Germany

    Thomas Lütteke

  2. Biognos AB, Göteborg, Sweden

    Martin Frank

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Díaz, D., Canales-Mayordomo, A., Cañada, F.J., Jiménez-Barbero, J. (2015). Solution Conformation of Carbohydrates: A View by Using NMR Assisted by Modeling. In: Lütteke, T., Frank, M. (eds) Glycoinformatics. Methods in Molecular Biology, vol 1273. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-2343-4_19

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  • DOI: https://doi.org/10.1007/978-1-4939-2343-4_19

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