Origin of ion selectivity in Phaseolus coccineus mitochondrial VDAC

• A one-compartment macroscopic electrodiffusion model predicts plant VDAC selectivity.
• BD simulations provide a microscopic model of the concentration-dependent selectivity.
• Plant and mammalian VDACs feature similar selectivity mechanism.

The mitochondrial voltage-dependent a nion-selective channel (VDAC) is the major permeation pathway for small ions and metabolites. Although a wealth of electrophysiological data has been obtained on different VDAC species, the physical mechanisms of their ionic selectivity are still elusive. We addressed this issue using electrophysiological experiments performed on plant VDAC. A simple macroscopic electrodiffusion model accounting for ion diffusion and for an effective fixed charge of the channel describes well its selectivity. Brownian Dynamics simulations of ion permeation performed on plant and mammalian VDACs point to the role of specific charged residues located at about the middle of the pore.