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. Author manuscript; available in PMC: 2020 Nov 1.
Published in final edited form as: Nat Catal. 2019 Sep 23;2(11):977–985. doi: 10.1038/s41929-019-0348-x

Fig. 4. F–Zn(ii) catalytic esterase reaction mechanism and the chemical structures along the reaction pathway.

Fig. 4

The entire reaction starts with the binding of a water molecule (from the solvent) to the central zinc atom of the monomeric F–Zn(ii) catalytic complex (1). The calculated free energy profile is shown in the centre. The optimized three-dimensional geometries of all the steps involved in the reaction are shown in Supplementary Fig. 9.