K+ Block Is the Mechanism of Functional Asymmetry in Bacterial Na(v) Channels.

ABSTRACT: Crystal structures of several bacterial Na(v) channels have been recently published and molecular dynamics simulations of ion permeation through these channels are consistent with many electrophysiological properties of eukaryotic channels. Bacterial Na(v) channels have been characterized as functionally asymmetric, and the mechanism of this asymmetry has not been clearly understood. To address this question, we combined non-equilibrium simulation data with two-dimensional equilibrium unperturbed landscapes generated by umbrella sampling and Weighted Histogram Analysis Methods for multiple ions traversing the selectivity filter of bacterial Na(v)Ab channel. This approach provided new insight into the mechanism of selective ion permeation in bacterial Na(v) channels. The non-equilibrium sim

SUBMITTER: Ngo V 

PROVIDER: S-EPMC4700994 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature