Mechanism of Proton Pumping in Complex I of the Mitochondrial Respiratory Chain

Abstract

We propose a physical mechanism of conformation-induced proton pumping in mitochondrial Complex I. The structural conformations of this protein are modeled as the motion of a piston having positive charges on both sides. A negatively charged electron attracts the piston, moving the other end away from the proton site, thereby reducing its energy and allowing a proton to populate the site. When the electron escapes, elastic forces assist the return of the piston, increasing proton site energy and facilitating proton transfer. We derive the Heisenberg equations of motion for electron and proton operators and rewrite them in the form of rate equations coupled to the phenomenological Langevin equation describing piston dynamics. This set of coupled equations is solved numerically. We show that proton pumping can be achieved within this model for a reasonable set of parameters. The dependencies of proton current on geometry, temperature, and other parameters are examined.