Redox-state dependent communication and protonation dynamics in cytochrome c oxidase (C05)

• Subject Area: Biophysics
• Term: from 2014 to 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 221545957

The proton transfer along the so-called D- and K- channels in cytochrome c oxidase is investigated by a combination of classical molecular dynamics simulations and quantum chemical calculations. Discrete protonation and conformational states are combined to a transition network, allowing to determine the most probable proton transfer pathways. We will also investigate the communication within the protein, e.g. between the two channels. Moreover, the impact of the redox state on the communication and on the proton transfer pathways will be explored so as to obtain a comprehensive picture of the coupling between redox-reaction and protonation dynamics.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1078: Protonation Dynamics in Protein Function
• Applicant Institution: Freie Universität Berlin
• Project Head: Professorin Dr. Petra Imhof, until 3/2019