Warren, Jeffrey J. and Gray, Harry B. and Winkler, Jay R. and Kozak, John J. (2013) A Euclidean perspective on the unfolding of azurin: spatial correlations. Molecular Physics, 111 (7). pp. 922-929. ISSN 0026-8976. PMCID PMC3708666. doi:10.1080/00268976.2012.758324. https://resolver.caltech.edu/CaltechAUTHORS:20130924-143326481
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Abstract
We investigate the stability to structural perturbation of Pseudomonas aeruginosa azurin using a previously developed geometric model. Our analysis considers Ru(2,2′,6′,2″-terpyridine)(1,10-phenanthroline)(His83)-labelled wild-type azurin and five variants with mutations to Cu-ligating residues. We find that in the early stages of unfolding, the β-strands exhibit the most structural stability. The conserved residues comprising the hydrophobic core are dislocated only after nearly complete unfolding of the β-barrel. Attachment of the Ru-complex at His83 does not destabilize the protein fold, despite causing some degree of structural rearrangement. Replacing the Cys112 and/or Met121 Cu ligands does not affect the conformational integrity of the protein. Notably, these results are in accord with experimental evidence, as well as molecular dynamics simulations of the denaturation of azurin.
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| Additional Information: | © 2013 Taylor & Francis. Received: 23 Sep 2012; Accepted: 9 Nov 2012; Accepted author version posted online: 14 Dec 2012; Published online: 23 Jan 2013. Work at Caltech was supported by NIH (GM095037 to JJW, DK019038 to HBG and GM068461 to JRW). | |||||||||
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| Subject Keywords: | azurin; protein folding; modelling | |||||||||
| Issue or Number: | 7 | |||||||||
| PubMed Central ID: | PMC3708666 | |||||||||
| DOI: | 10.1080/00268976.2012.758324 | |||||||||
| Record Number: | CaltechAUTHORS:20130924-143326481 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20130924-143326481 | |||||||||
| Official Citation: | A Euclidean perspective on the unfolding of azurin: spatial correlations Jeffrey J. Warren, Harry B. Gray, Jay R. Winkler, John J. Kozak Molecular Physics Vol. 111, Iss. 7, 2013 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 41512 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Tony Diaz | |||||||||
| Deposited On: | 24 Sep 2013 21:43 | |||||||||
| Last Modified: | 10 Nov 2021 04:31 |
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