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A simple method to predict protein flexibility using secondary chemical shifts.

A simple method to predict protein flexibility using secondary chemical shifts. Research Abstract Details 

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  • A simple method to predict protein flexibility using secondary chemical shifts. Abstract Text:

    mark v berjanskiiMark V Berjanskii,david s wishartDavid S Wishart,

    Protein motions play a critical role in many biological processes, such as enzyme catalysis, allosteric regulation, antigen-antibody interactions, and protein-DNA binding. NMR spectroscopy occupies a unique place among methods for investigating protein dynamics due to its ability to provide site-specific information about protein motions over a large range of time scales. However, most NMR methods require a detailed knowledge of the 3D structure and/or the collection of additional experimental data (NOEs, T1, T2, etc.) to accurately measure protein dynamics. Here we present a simple method based on chemical shift data that allows accurate, quantitative, site-specific mapping of protein backbone mobility without the need of a three-dimensional structure or the collection and analysis of NMR relaxation data. Further, we show that this chemical shift method is able to quantitatively predict per-residue RMSD values (from both MD simulations and NMR structural ensembles) as well as model-free backbone order parameters.

    A simple method to predict protein flexibility using secondary chemical shifts. Publishing Authors By Initials

    mv berjanskiiMV Berjanskii,ds wishartDS Wishart,

    For similar proteins research abstracts see: proteins research

    PUBMED ID PMID:

    MEDLINE DATE:

    A simple method to predict protein flexibility using secondary chemical shifts. Journal Published:

    PUBLICATION TYPE: Research Support, Non-U.S. Gov

    Journal: Journal of the American Chemical Society

    VOLUME: 127

    Page Numbers: 14970-1

    Journal Abbreviation: J. Am. Chem. Soc.

    ISSN: 0002-7863

    DAY: 2

    MONTH: Nov

    YEAR: 2005

    A simple method to predict protein flexibility using secondary chemical shifts. Information

    Number of References:

    LANGUAGE: eng

    NlmUniqueID: 7503056

    A simple method to predict protein flexibility using secondary chemical shifts. Keywords Mesh Terms:

    KEYWORDS: Proteins

    MESH TERMS: chemistry

    Chemical & Substance for Abstract: A simple method to predict protein flexibility using secondary chemical shifts. Information

    Substance Name: Proteins

    Registry Number: 0

    Grant and Affiliation Information for A simple method to predict protein flexibility using secondary chemical shifts.

    AFFILIATION: Departments of Computing Science and Biological Sciences, University of Alberta, Edmonton, AB, Canada T6G 2E8.

    Country: United States

    United States Research PublicationUnited States Research Publication

    AGENCY:

    GRANT:

    ACRONYM:

    MEDLINETA: J Am Chem Soc

    REFSOURCE:

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    ACCESSION NUMBER:

    Number Hits: 0

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