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Comprehensive Automation for NMR Structure Determination of Proteins

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Protein NMR Techniques

Part of the book series: Methods in Molecular Biology ((MIMB,volume 831))

Abstract

This chapter gives an overview of automated protein structure determination by nuclear magnetic resonance (NMR) with the UNIO protocol that enables high to full automation of all NMR data analysis steps involved. Four established algorithms, namely, the MATCH algorithm for sequence-specific resonance assignment, the ASCAN algorithm for side-chain resonance assignment, the CANDID algorithm for NOE assignment, and the ATNOS algorithm for signal identification in NMR spectra, are assembled into three principal UNIO NMR data analysis components (MATCH, ATNOS/ASCAN, and ATNOS/CANDID) that are accessed thanks to a particularly intuitive and flexible, yet powerful graphical user interface (GUI). UNIO is designed to work independently or in association with other NMR software. The principal data analysis components for sequence-specific backbone, side-chain and NOE assignment may be run separately or out of sequence. User-intervention at individual stages is encouraged and facilitated by graphical tools included for the preparation, analysis, validation, and subsequent presentation of the NMR structure.

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Authors and Affiliations

  1. Centre Européen de RMN à très Hauts Champs, Université de Lyon, Ecole Normale Supérieure de Lyon, CNRS, Université Claude, Villeurbanne, France

    Paul Guerry

  2. Centre Européen de RMN à très Hauts Champs, Université de Lyon, CNRS, Ecole Normale Supérieure de Lyon, Université Claude, Villeurbanne, France

    Torsten Herrmann

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  1. Paul Guerry
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  2. Torsten Herrmann
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Correspondence to Torsten Herrmann .

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Editors and Affiliations

  1. University of Albany, State University of New York, Washington Avenue 1400, Albany, 12222, New York, USA

    Alexander Shekhtman

  2. University of Albany, State University of New York, Washington Avenue 1400, Albany, 12222, New York, USA

    David S. Burz

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Guerry, P., Herrmann, T. (2012). Comprehensive Automation for NMR Structure Determination of Proteins. In: Shekhtman, A., Burz, D. (eds) Protein NMR Techniques. Methods in Molecular Biology, vol 831. Humana Press. https://doi.org/10.1007/978-1-61779-480-3_22

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  • DOI: https://doi.org/10.1007/978-1-61779-480-3_22

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