Computed pore potentials of the nicotinic acetylcholine receptor.

ABSTRACT: Electrostatic surface potentials in the vestibule of the nicotinic acetylcholine receptor (nAChR) were computed from structural models using the University of Houston Brownian Dynamics program to determine their effect on ion conduction and ionic selectivity. To further determine whether computed potentials accurately reflect the electrostatic environment of the channel, the potentials were used to predict the rate constants for diffusion-enhanced fluorescence energy transfer; the calculated energy transfer rates are directly comparable with those determined experimentally (see companion article by Meltzer et al. in this issue). To include any effects on the local potentials by the bound acceptor fluorophore crystal violet, its binding site was first localized within the pore by fluorescen

SUBMITTER: Meltzer RH 

PROVIDER: S-EPMC1518625 | biostudies-literature | 2006 Aug

REPOSITORIES: biostudies-literature