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The anti‐psychotic drug trifluoperazine (TFP) is an antagonist observed to bind to calcium‐saturated calmodulin ((Ca2+)4–CaM) at ratios of 1:1 (1CTR), 2:1 (1A29), and 4:1 (1LIN). Each structure contains one TFP bound in the hydrophobic cleft of the C‐domain of CaM. However, the orientation of the trifluoromethyl (CF3) moiety differs among them: it is buried in the C‐domain cleft of 1A29 and 1LIN,...
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