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Biophys. J. BioFAST: First Published July 14, 2006. doi:10.1529/biophysj.106.091926
© 2006 by the Biophysical Society.

A more recent version of this article appeared on September 15, 2006.
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CHANNELS, RECEPTORS, AND ELECTRICAL SIGNALING

Dynamics of K+ ion conduction through Kv1.2

Fatemeh Khalili-Araghi 1, Emad Tajkhorshid 1 and Klaus Schulten 2*

1 University of Illinois at Urbana-Champaign
2 University of Illinois 3143 Beckman Institute

* To whom correspondence should be addressed. E-mail: kschulte{at}ks.uiuc.edu.

Submitted on June 21, 2006
Revised on June 30, 2006
Accepted on 7 July 2006


  Abstract
The crystallographic structure of a potassium channel, Kv1.2, in an open state makes it feasible to simulate entire K+ ion permeation events driven by a voltage bias and, thereby, elucidate the mechanism underlying ion conduction and selectivity of this type of channel. This letter demonstrates that molecular dynamics simulations can provide movies of the overall conduction of K+ ions through Kv1.2. As suggested earlier, the conduction is concerted in the selectivity filter, involving 2-3 ions residing mainly at sites identified previously by crystallography and modeling. The simulations reveal, however, the jumps of ions between these sites and identify the sequence of multi-ion configurations involved in permeation.

Key Words: ion permeation, membrane potential, membrane proteins, molecular dynamics, potassium channels




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Copyright © 2006 by the Biophysical Society.