Measurements of agonist binding distances in MD simulations of epibatidine bound hα4β2 and hα3β4 nAChR ECDs.
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aDistance between positively charged N of epibatidine and backbone O of Trp148.bDistance between positively charged N of epibatidine and center of mass for the indole group of Trp148 (Å).cSingle epibatidine molecule bound to agonist binding site 1.dEpibatidine bound to both agonist binding sites.Average measurements calculated from 5 ns MD simulations with standard deviations in parentheses.
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2015-12-02
