Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP
Maria Laura De Sciscio,
Alessandro Nicola Nardi,
Giacomo Parisi,
Giovanni Bulfaro,
Antonella Costanzo,
Elena Gugole,
Cécile Exertier,
Ida Freda,
Carmelinda Savino,
Beatrice Vallone,
Linda Celeste Montemiglio,
Marco D’Abramo
Affiliations
Maria Laura De Sciscio
Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Alessandro Nicola Nardi
Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Giacomo Parisi
Center for Life Nano & Neuro-Science, Fondazione Istituto Italiano di Tecnologia, IIT, 00185 Rome, Italy
Giovanni Bulfaro
Department of Biochemical Sciences “A. Rossi Fanelli”, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Antonella Costanzo
Department of Biochemical Sciences “A. Rossi Fanelli”, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Elena Gugole
Department of Biochemical Sciences “A. Rossi Fanelli”, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Cécile Exertier
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
Ida Freda
Department of Biochemical Sciences “A. Rossi Fanelli”, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Carmelinda Savino
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
Beatrice Vallone
Department of Biochemical Sciences “A. Rossi Fanelli”, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
Linda Celeste Montemiglio
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
Marco D’Abramo
Department of Chemistry, University of Rome, Sapienza, P.le A. Moro 5, 00185 Rome, Italy
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.
