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  • Title: Calculated effects of the chemical environment of 2-phospho-D-glycerate on the pKa of its carbon-2 and correlations with the proposed mechanism of action of enolase.
    Author: Hilal SH, Brewer JM, Lebioda L, Carreira LA.
    Journal: Biochem Biophys Res Commun; 1995 Jun 15; 211(2):607-13. PubMed ID: 7794276.
    Abstract:
    The mechanism of action of enolase requires drastic lowering of the pK of the alpha carbon of the substrate to enable removal of the alpha hydrogen. Calculations suggest this is done primarily by rotation of the carboxyl ("carbon-1") of the substrate around the carbon-1 carbon-2 bond by 90 degrees so that its oxygen atoms lie in the plane formed by the three carbon atoms and secondarily by effectively neutralizing the negative charges on the carboxylate and phosphate. These predictions are in very good agreement with the proposed mechanism of action of enolase which is based on X-ray crystallographic data.
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