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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
Circular dichroism
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
DOI: 10.1016/j.ijbiomac.2011.12.018
ISSN: 0141-8130
Appears in Collections:CESAM - Artigos
DBio - Artigos

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