Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP.

Autor:	De Sciscio ML; Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Nardi AN; Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Parisi G; Center for Life Nano & Neuro-Science, Fondazione Istituto Italiano di Tecnologia, IIT, 00185 Rome, Italy., Bulfaro G; Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy.; Takis Biotech, Via di Castel Romano 100, 00128 Rome, Italy., Costanzo A; Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy.; Takis Biotech, Via di Castel Romano 100, 00128 Rome, Italy.; Institute of Molecular Biology and Pathology, CNR c/o Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Gugole E; Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Exertier C; Institute of Molecular Biology and Pathology, CNR c/o Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Freda I; Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Savino C; Institute of Molecular Biology and Pathology, CNR c/o Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Vallone B; Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., Montemiglio LC; Institute of Molecular Biology and Pathology, CNR c/o Department of Biochemical Sciences 'A. Rossi Fanelli', University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy., D'Abramo M; Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy.
Jazyk:	angličtina
Zdroj:	Molecules (Basel, Switzerland) [Molecules] 2023 Jan 13; Vol. 28 (2). Date of Electronic Publication: 2023 Jan 13.
DOI:	10.3390/molecules28020832
Abstrakt:	Cytochrome P450 OleP catalytic activity is strongly influenced by its structural dynamic conformational behavior. Here, we combine equilibrium-binding experiments with all-atom molecular dynamics simulations to clarify how different environments affect OleP conformational equilibrium between the open and the closed-catalytic competent-forms. Our data clearly show that at high-ionic strength conditions, the closed form is favored, and, very interestingly, different mechanisms, depending on the chemistry of the cations, can be used to rationalize such an effect.
Databáze:	MEDLINE
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