Key result
Self-consistent Brownian dynamics simulations of a simple electrostatic model revealed distinct conduction bands related to saturated calcium occupancies that explain calcium channel selectivity.
This computational model demonstrates how varying fixed negative charge in calcium ion channels creates distinct conduction bands with varying selectivity.
Model predicts discrete conduction bands in Ca channels; leaves open experimental validation and physiological relevance.
We report self-consistent Brownian dynamics simulations of a simple electrostatic model of the selectivity filters (SF) of calcium ion channels. They reveal regular structure in the conductance and selectivity as functions of the fixed negative charge Qf at the SF. With increasing Qf, there are distinct regions of high conductance (conduction bands) M0, M1, M2 separated by regions of almost zero-conductance (stop-bands). Two of these conduction bands, M1 and M2, are related to the saturated calcium occupancies of P = 1 and P = 2, respectively and demonstrate self-sustained conductivity. Despite the model's limitations, its M1 and M2 bands show high calcium selectivity and prominent anomalous mole fraction effects and can be identified with the L-type and RyR calcium channels. The non-selective band M0 can be identified with a non-selective cation channel, or with OmpF porin.
No takes yet. Share an insight, caveat, or question.
A 2013 study studied Calcium ion channel selectivity. Electrostatic model of selectivity filters was evaluated on Calcium conductance and selectivity. Self-consistent Brownian dynamics simulations of a simple electrostatic model revealed distinct conduction bands related to saturated calcium occupancies that explain calcium channel selectivity.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: