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Dynamic allostery of protein alpha helical coiled-coils

Hawkins, R.J. and McLeish, T.C.B. (2006) Dynamic allostery of protein alpha helical coiled-coils. Journal of the Royal Society Interface, 3 (6). pp. 125-138. ISSN 1742-5662


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Alpha helical coiled-coils appear in many important allosteric proteins such as the dynein molecular motor and bacteria chemotaxis transmembrane receptors. As a mechanism for transmitting the information of ligand binding to a distant site across an allosteric protein, an alternative to conformational change in the mean static structure is an induced change in the pattern of the internal dynamics of the protein. We explore how ligand binding may change the intramolecular vibrational free energy of a coiled-coil, using parameterized coarse-grained models, treating the case of dynein in detail. The models predict that coupling of slide, bend and twist modes of the coiled-coil transmits an allosteric free energy of similar to 2k(B)T, consistent with experimental results. A further prediction is a quantitative increase in the effective stiffness of the coiled-coil without any change in inherent flexibility of the individual helices. The model provides a possible and experimentally testable mechanism for transmission of information through the alpha helical coiled-coil of dynein.

Item Type: Article
Copyright, Publisher and Additional Information: © 2005 The Royal Society. Reproduced in accordance with the publisher's self-archiving policy.
Keywords: physics, biophysics, allostery, coiled-coil, protein dynamics, theory
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Maths and Physical Sciences (Leeds) > School of Physics and Astronomy (Leeds)
The University of Leeds > University of Leeds Research Centres and Institutes > Astbury Centre for Structural Molecular Biology (Leeds)
The University of Leeds > University of Leeds Research Centres and Institutes > Interdisciplinary Research Centre in Polymer Science and Technology (Leeds)
Depositing User: Repository Officer
Date Deposited: 16 Aug 2006
Last Modified: 05 Jun 2014 04:45
Published Version: http://www.journals.royalsoc.ac.uk/openurl.asp?gen...
Status: Published
Publisher: The Royal Society
Refereed: Yes
Identification Number: 10.1098/rsif.2005.0068
URI: http://eprints.whiterose.ac.uk/id/eprint/1500

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