Electric Field Induced Wetting of a Hydrophobic Gate in a Model Nanopore Based on the 5-HT₃ Receptor Channel.

ABSTRACT: In this study we examined the influence of a transmembrane voltage on the hydrophobic gating of nanopores using molecular dynamics simulations. We observed electric field induced wetting of a hydrophobic gate in a biologically inspired model nanopore based on the 5-HT₃ receptor in its closed state, with a field of at least ∼100 mV nm^-1 (corresponding to a supra-physiological potential difference of ∼0.85 V across the membrane) required to hydrate the pore. We also found an unequal distribution of charged residues can generate an electric field intrinsic to the nanopore which, depending on its orientation, can alter the effect of the external field, thus making the wetting response asymmetric. This wetting response could be described by a simple model based on water su

SUBMITTER: Klesse G 

PROVIDER: S-EPMC7450702 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature