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Docked structures of the wild-type BChE and CocH3 binding with cocaethylene and (−)-cocaine: (A) Wild-type human BChE binding with (−)-cocaine; (B) Wild-type human BChE binding with cocaethylene; (C) CocH3 binding with (−)-cocaine; (D) CocH3 binding with cocaethylene. Indicated in the figure are the key distances (in Å) of the carbonyl oxygen of the substrate with the hydrogen atoms of the oxyanion hole.
