QM/MM Modeling of Ba2+ Blockades in Potassium ion Channels

Ionic interactions of Ba2+ blockades in the MthK K+ channel

The movement and interaction of multiple ions passing through in single file underlie various fundamental K(+) channel properties, from the effective conduction of K(+) ions to channel blockade by Ba(2+) ions. In this study, we used single-channel electrophysiology and x-ray crystallography to probe the interactions of Ba(2+) with permeant ions within the ion conduction pathway of the MthK K(+)...

Energetics of Multi-Ion Conduction Pathways in Potassium Ion Channels

Potassium ion channels form pores in cell membranes, allowing potassium ions through while preventing the passage of sodium ions. Despite numerous high-resolution structures, it is not yet possible to relate their structure to their single molecule function other than at a qualitative level. Over the past decade, there has been a concerted effort using molecular dynamics to capture the thermody...

Modeling of Ion Channels

Modeling of biological ion channels has a long history, going back more then 100 yr (Hille 1984). In the old, premolecular biology era, interpretation of these simple models provided the primary source of information about channel structure. As molecular biology and, now, x-ray diffraction have provided direct information about structure, modeling has been reduced to playing more of a secondary...

Update on Potassium Ion Channels Potassium Ion Channels: Could They Have Evolved from Viruses?1[W]

Department of Biology, Technische Universität-Darmstadt, Schnittspahnstrasse 3, 64287 Darmstadt, Germany (G.T.); Department of Biosciences, University of Milan, Via Celoria 26, 20133 Milan Italy (A.M.); Information Genomique and Structurale, Unité Mixte de Recherche 7256, Centre National de la Recherche Scientifique, Aix-Marseille Universite, FR–13288 Marseille, France (G.B.); and Department of...

G protein regulation of potassium ion channels.