Model development for the viral Kcv potassium channel.

ABSTRACT: A computational model for the open state of the short viral Kcv potassium channel was created and tested based on homology modeling and extensive molecular-dynamics simulation in a membrane environment. Particular attention was paid to the structure of the highly flexible N-terminal region and to the protonation state of membrane-exposed lysine residues. Data from various experimental sources, NMR spectroscopy, and electrophysiology, as well as results from three-dimensional reference interaction site model integral equation theory were taken into account to select the most reasonable model among possible variants. The final model exhibits spontaneous ion transitions across the complete pore, with and without application of an external field. The nonequilibrium transport events could be in

SUBMITTER: Tayefeh S 

PROVIDER: S-EPMC2716456 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature