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Using NMR Data on GLYCOSCIENCES.de

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Glycoinformatics

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

Abstract

NMR spectroscopy is frequently used in structural characterization of carbohydrates. The GLYCOSCIENCES.de database contains more than 3,000 NMR spectra stored as lists of chemical shifts, which can be searched online by atom and residue names and by chemical shift values. This chapter describes how to use the different interfaces to get access to these data. The atom search allows querying the database for NMR spectra that contain a specific carbohydrate residue with an NMR shift in a given range assigned to a particular atom, whereas the peak search enables queries to find spectra with NMR shifts most similar to a list of given shifts. The shift estimation feature facilitates prediction of NMR shifts of glycans, for which no experimental data are available.

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Authors and Affiliations

  1. Gebrüder Gerstenberg GmbH & Co. KG, Rathausstraße 18-20, 31134, Hildesheim, Germany

    Alexander Loss

  2. Institute of Veterinary Physiology and Biochemistry, Justus-Liebig University Giessen, Frankfurter Str. 100, 35392, Giessen, Germany

    Thomas Lütteke

Authors
  1. Alexander Loss
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  2. Thomas Lütteke
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Corresponding author

Correspondence to Alexander Loss .

Editor information

Editors and Affiliations

  1. Justus-Liebig-University, Giessen, Germany

    Thomas Lütteke

  2. Biognos AB, Göteborg, Sweden

    Martin Frank

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Loss, A., Lütteke, T. (2015). Using NMR Data on GLYCOSCIENCES.de. 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_6

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  • DOI: https://doi.org/10.1007/978-1-4939-2343-4_6

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-2342-7

  • Online ISBN: 978-1-4939-2343-4

  • eBook Packages: Springer Protocols

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