Functional and conformational changes in the aspartic protease cardosin A induced by TFE

Fraga, A.S., Esteves, A.C., Micaelo, N., Cruz, P.F., Brito, R.M..M., Nutley, M., Cooper, A., Barros, M.M.T. and Pires, E.M.V. (2012) Functional and conformational changes in the aspartic protease cardosin A induced by TFE. International Journal of Biological Macromolecules, 50(2), pp. 323-330. (doi:10.1016/j.ijbiomac.2011.12.018)

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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.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Cooper, Professor Alan
Authors: Fraga, A.S., Esteves, A.C., Micaelo, N., Cruz, P.F., Brito, R.M..M., Nutley, M., Cooper, A., Barros, M.M.T., and Pires, E.M.V.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:International Journal of Biological Macromolecules
ISSN:0141-8130
Published Online:01 March 2012

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