Fig. 3.

The amantadine and rimantadine binding sites in the M2 and p7 channels. (A) The precise NMR structure of rimantadine bound to the internal pocket of the AM2–BM2 chimeric channel determined in DHPC micelles and at pH 7.5 [83]. Left panel: detailed illustration of the methyl groups (in green) that interact with the adamantane cage. Right panel: surface representation for showing the hydrophobic pocket that fits the drug snuggly. One of the four subunits is omitted for drug visibility. (B) The amantadine or rimantadine binding site of the p7 channel determined by NMR in DPC micelles and at pH 6.5 [63]. Left panel: the drug binds to six equivalent hydrophobic pockets of the p7 channel. Right panel: a close view of amantadine docked into the binding pocket as determined using NMR NOE restraints.