Ion conduction through the hERG potassium channel

PLoS One. 2012;7(11):e49017. doi: 10.1371/journal.pone.0049017. Epub 2012 Nov 2.

Abstract

The inward rectifier voltage-gated potassium channel hERG is of primary importance for the regulation of the membrane potential of cardiomyocytes. Unlike most voltage-gated K(+)-channels, hERG shows a low elementary conductance at physiological voltage and potassium concentration. To investigate the molecular features underlying this unusual behavior, we simulated the ion conduction through the selectivity filter at a fully atomistic level by means of molecular dynamics-based methods, using a homology-derived model. According to our calculations, permeation of potassium ions can occur along two pathways, one involving site vacancies inside the filter (showing an energy barrier of about 6 kcal mol(-1)), and the other characterized by the presence of a knock-on intermediate (about 8 kcal mol(-1)). These barriers are indeed in accordance with a low conductance behavior, and can be explained in terms of a series of distinctive structural features displayed by the hERG ion permeation pathway.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Crystallography, X-Ray / methods
  • ERG1 Potassium Channel
  • Electric Conductivity
  • Electrophysiology
  • Ether-A-Go-Go Potassium Channels / metabolism*
  • Humans
  • Ion Channel Gating / physiology
  • Ions*
  • Lipid Bilayers / chemistry
  • Membrane Potentials
  • Models, Biological
  • Models, Molecular
  • Molecular Conformation
  • Motion
  • Potassium / chemistry

Substances

  • ERG1 Potassium Channel
  • Ether-A-Go-Go Potassium Channels
  • Ions
  • KCNH2 protein, human
  • Lipid Bilayers
  • Potassium

Grants and funding

The research leading to these results has received funding from Istituto Italiano di Tecnologia, Genova, Italy (Seed project: HERGSYM), the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement n° 241679 (ARITMO project), and Alma Mater Studiorum - University of Bologna, Bologna, Italy. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.