Please use this identifier to cite or link to this item:
http://hdl.handle.net/10773/26797
Title: | Functional and conformational changes in the aspartic protease cardosin A induced by TFE |
Author: | Fraga, Ana Sofia Esteves, Ana Cristina Micaelo, Nuno Cruz, Pedro F. Brito, Rui M. M. Nutley, Margaret Cooper, Alan Barros, Marlene M. T. Pires, Euclides M. V. |
Keywords: | Aspartic proteases Trifluoroethanol Circular dichroism Calorimetry Molecular dynamics simulations |
Issue Date: | 1-Mar-2012 |
Publisher: | Elsevier |
Abstract: | Conformational and functional changes of cardosin A, an aspartic protease of vegetal origin, in the presence of 2,2,2-trifluoroethanol (TFE), were assessed. TFE induced alterations of cardosin activity and conformation that differed with the solvent concentration. MD simulations showed that there are significant local alterations in protein flexibility and TFE molecules were found to replace several hydration molecules in the active site of the enzyme. This may explain some of the activity loss observed in the presence of TFE, especially at low TFE concentrations, as well as the recovery of enzyme activity upon aqueous dilution, indicating the release of the TFE molecules from the active site. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/26797 |
DOI: | 10.1016/j.ijbiomac.2011.12.018 |
ISSN: | 0141-8130 |
Appears in Collections: | CESAM - Artigos DBio - Artigos |
Files in This Item:
File | Description | Size | Format | |
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Fraga et al. - 2012 - Functional and conformational changes in the aspar.pdf | 1.5 MB | Adobe PDF |
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