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Euclidean perspective on the unfolding of azurin: angular correlations

Warren, Jeffrey J. and Gray, Harry B. and Winkler, Jay R. and Kozak, John J. (2013) Euclidean perspective on the unfolding of azurin: angular correlations. Molecular Physics, 111 (24). pp. 3762-3769. ISSN 0026-8976. doi:10.1080/00268976.2013.787153.

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The geometrical model introduced previously by the authors has been extended quantitatively to document changes in angular correlations between and among residues as azurin unfolds. In the early stages of denaturation, these changes are found to be more pronounced than changes in the spatial displacement of residues, a result that is also found for residues acting in concert, viz., α-helices, β-sheet residues and residues in ‘turning regions.’ Our analysis leads to a picture of the large-scale motion of the polypeptide chain as azurin denatures. Flanking a central ‘ribbon’ of residues whose orientation remains essentially invariant, we find that in the early stages of unfolding, left- and right-hand ‘wings’ adjacent to this stationary scaffolding pivot counterclockwise, while smaller regions on opposing ends of the β-barrel pivot clockwise. As spatial constraints characterising the native state are further relaxed, our calculations show that some regions reverse their orientational motion, reflecting the enhanced flexibility of the polypeptide chain in the denatured state.

Item Type:Article
Related URLs:
URLURL TypeDescription
Warren, Jeffrey J.0000-0002-1747-3029
Gray, Harry B.0000-0002-7937-7876
Winkler, Jay R.0000-0002-4453-9716
Additional Information:© 2013 Taylor & Francis. Received 29 January 2013; final version received 7 March 2013. Work at Caltech was supported by NIH (GM095037 to JJW, DK019038 to HBG and GM06846l to JRW).
Funding AgencyGrant Number
Subject Keywords: azurin, protein folding, modelling
Issue or Number:24
Record Number:CaltechAUTHORS:20140325-091200933
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:44491
Deposited By: Ruth Sustaita
Deposited On:25 Mar 2014 18:09
Last Modified:10 Nov 2021 16:52

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