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Here, we report the study of molecular dynamics of human OGG1 bound to the oxoGA-containing DNA and OGG1 mutants bound to the APC-containing DNA. We showed that the enzyme low activity is associated with a decrease in the populations of Lys249 and Asp268 properly configured for catalysis. The experimentally measured rate constants for the OGG1 mutants show a good agreement with the models. We conclude that the enzymatic activity of OGG1 is determined majorly by the population density of the catalytically competent conformations of the a
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