The enzymatic reaction catalyzed by lactate dehydrogenase exhibits one dominant reaction path.

ABSTRACT: Enzymes are the most efficient chemical catalysts known, but the exact nature of chemical barrier crossing in enzymes is not fully understood. Application of transition state theory to enzymatic reactions indicates that the rates of all possible reaction paths, weighted by their relative probabilities, must be considered in order to achieve an accurate calculation of the overall rate. Previous studies in our group have shown a single mechanism for enzymatic barrier passage in human heart lactate dehydrogenase (LDH). To ensure that this result was not due to our methodology insufficiently sampling reactive phase space, we implement high-perturbation transition path sampling in both microcanonical and canonical regimes for the reaction catalyzed by human heart LDH. We find that, although mul

SUBMITTER: Masterson JE 

PROVIDER: S-EPMC4215548 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature