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Urea and Guanidinium Induced Denaturation of a Trp-Cage Miniprotein

Heyda, J, Koz?i?s?ek, M, Bedna?rova, L, Thompson, GS, Konvalinka, J, Vondra?s?ek, J, Jungwirth, P (2011) Urea and Guanidinium Induced Denaturation of a Trp-Cage Miniprotein. The Journal of Physical Chemistry B, 115 . pp. 8910-8924. ISSN 1520-6106. (doi:10.1021/jp200790h) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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Official URL
http://dx.doi.org/10.1021/jp200790h

Abstract

Using a combination of experimental techniques (circular dichroism, differential scanning calorimetry, and NMR) and molecular dynamics simulations, we performed an extensive study of denaturation of the Trp-cage miniprotein by urea and guanidinium. The experiments, despite their different sensitivities to various aspects of the denaturation process, consistently point to simple, two-state unfolding process. Microsecond molecular dynamics simulations with a femtosecond time resolution allow us to unravel the detailed molecular mechanism of Trp-cage unfolding. The process starts with a destabilizing proline shift in the hydrophobic core of the miniprotein, followed by a gradual destruction of the hydrophobic loop and the ?-helix. Despite differences in interactions of urea vs guanidinium with various peptide moieties, the overall destabilizing action of these two denaturants on Trp-cage is very similar.

Item Type: Article
DOI/Identification number: 10.1021/jp200790h
Subjects: Q Science > QP Physiology (Living systems) > QP517 Biochemistry
Divisions: Faculties > Sciences > School of Biosciences
Depositing User: G. Thompson
Date Deposited: 23 Jan 2019 20:52 UTC
Last Modified: 30 May 2019 08:47 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/71809 (The current URI for this page, for reference purposes)
Thompson, GS: https://orcid.org/0000-0001-9399-7636
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