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. Author manuscript; available in PMC: 2011 Dec 22.
Published in final edited form as: J Am Chem Soc. 2010 Nov 24;132(50):17751–17759. doi: 10.1021/ja104496q

Figure 5.

Figure 5

Free energy profiles for formation of the tetrahedral intermediate in nonenzymic (black line) and AChE-catalyzed (blue line) hydrolysis of ACh. The sp2-hybridized reactant is at fractional reaction progress 0, and the sp3-hybridized tetrahedral intermediate is at fractional reaction progress 1. The free energy profile for the nonenzymic reaction was calibrated as described in the text. The profile for AChE catalysis was generated by stabilizing the tetrahedral intermediate by 11 kcal mol−1, as also described in the text.