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Characterization of folding cores in the cyclophilin A-cyclosporin A complex
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Heal, Jack W., Wells, Stephen A., Blindauer, Claudia A., Freedman, R. B. and Römer, Rudolf A. (2015) Characterization of folding cores in the cyclophilin A-cyclosporin A complex. Biophysical Journal, Volume 108 (Number 7). pp. 1739-1746. doi:10.1016/j.bpj.2015.02.017
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Official URL: http://dx.doi.org/10.1016/j.bpj.2015.02.017
Abstract
Determining the folding core of a protein yields information about its folding process and dynamics. The experimental procedures for identifying the amino acids that make up the folding core include hydrogen-deuterium exchange and Φ-value analysis and can be expensive and time consuming. Because of this, there is a desire to improve upon existing methods for determining protein folding cores theoretically. We have obtained HDX data for the complex of cyclophilin A with the immunosuppressant cyclosporin A. We compare these data, as well as literature values for uncomplexed cyclophilin A, to theoretical predictions using a combination of rigidity analysis and coarse-grained simulations of protein motion. We find that in this case, the most specific prediction of folding cores comes from a combined approach that models the rigidity of the protein using the first software suite and the dynamics of the protein using the froda tool.
| Item Type: | Journal Article | ||||||||||
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| Subjects: | Q Science > QR Microbiology | ||||||||||
| Divisions: | Other > Institute of Advanced Study Faculty of Science > Chemistry Faculty of Science > Life Sciences (2010- ) Faculty of Science > Molecular Organisation and Assembly in Cells (MOAC) Faculty of Science > Physics Faculty of Science > Centre for Scientific Computing |
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| Library of Congress Subject Headings (LCSH): | Proteins -- Analysis | ||||||||||
| Journal or Publication Title: | Biophysical Journal | ||||||||||
| Publisher: | Biophysical Society | ||||||||||
| ISSN: | 0006-3495 | ||||||||||
| Official Date: | 7 April 2015 | ||||||||||
| Dates: |
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| Date of first compliant deposit: | 29 December 2015 | ||||||||||
| Volume: | Volume 108 | ||||||||||
| Number: | Number 7 | ||||||||||
| Number of Pages: | 8 | ||||||||||
| Page Range: | pp. 1739-1746 | ||||||||||
| DOI: | 10.1016/j.bpj.2015.02.017 | ||||||||||
| Status: | Peer Reviewed | ||||||||||
| Publication Status: | Published | ||||||||||
| Access rights to Published version: | Open Access | ||||||||||
| Funder: | International Max Planck Research School (IMPRS), Engineering and Physical Sciences Research Council (EPSRC), University of Warwick. Institute of Advanced Study (IAS) | ||||||||||
| Grant number: | MOAC DTC EP/F500378/1 (EPSRC), EP/K004956/1 (EPSRC) |
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