Structural prediction of barbital-acetylcholine receptor complex from docking simulation

New binding site of amobarbital in ion pore of resting state nicotinic acetylcholine receptor was found. Amobarbital bound to inside of ion pore, Thr255 of α subunit, which at M2-2′ serine ring. Distance between carbonyl oxygen of the barbital ring and hydroxyl radical of Thr255 was 2.6 Å forming hydrogen bond.