Redox-coupled quinone dynamics in the respiratory complex I

• DOI: 10.1073/pnas.1805468115
• Publication Date: 2018-08-17T21:55:11Z
• Authors: Judith Warnau; Vivek Sharma; Ana P. Gamiz-Hern...; Andrea Di Luca; Outi Haapanen; Ilpo Vattulainen; Mårten Wikström; Gerhard Hummer; Ville R. I. Kaila
• Keywords: Thermus thermophilus; Proton Transport

Significance Complex I is the primary energy-converting enzyme of aerobic respiratory chains. By reducing quinone to quinol, this gigantic pumps protons across its membrane domain, which in turn powers ATP synthesis and active transport. Despite recently resolved molecular structures complex I, dynamics coupling pumping function remains unclear. Here we show by large-scale simulations that reduction leads ejection quinol molecule from site into a second binding near proton-pumping domain I. The identified region has been linked with human mitochondrial disorders. Our work suggests provides key element