Session W38: Focus Session: Ion Channel Physics and Chemical Physics I

11:15 AM–2:03 PM, Thursday, March 19, 2009
Room: 410

Chair: Rob Coalson, University of Pittsburgh

Abstract ID: BAPS.2009.MAR.W38.1

Abstract: W38.00001 : Numerical modeling of fast gate-coupled ion permeation in ClC channels

11:15 AM–11:51 AM

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Author:

Mary H. Cheng
(Department of Chemistry, University of Pittsburgh)

We have developed a three dimensional Brownian dynamics (BD) and discrete-state model to couple ion permeation to the motion of a putative fast gate in the ClC channels. The model channel is designed so as to represent certain essential features of ClC chloride channel, in which a glutamate side chain moves from an open state to a closed state (blocking the channel pore at a position which also acts as a binding site for Cl$^{-}$ ions moving through the channel). Both BD and the discrete-state model generate results in qualitative agreement with experimental observations and consistent with the foot-in-the-door mechanism. Furthermore, we have formulated a numerical approach to calculate the discrete rate constants in our model channel using BD. The discrete-state model with the rate constants solved via BD produces results consistent with the (continuous space) multi-ion BD simulations.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2009.MAR.W38.1