The TET2 enzyme mediates the stepwise conversion of 5-methylcytosine (5mC) to 5-carboxylcytosine (5caC). Previously, our experimental and computational work identified structural differences between both single-stranded (ss) and double-stranded (ds) DNA and RNA, as well as mixed DNA-RNA substrates (<i>Biochemistry</i> <b>58</b> (2019) 411). TET2 was found to selectively favor double-stranded substrates over single-stranded substrates, and all-DNA substrates over DNA-RNA or all-RNA substrates. Changes to the substrate affected the active site configuration. In this contribution, we will present molecular dynamics simulations performed on TET2 with a variety of backbone compositions. These simulations investigate how a residue’s identity (e.g., oxidation product or DNA vs. RNA) in the substrate-, complement-, or both substrate and complement strands impact the structure and dynamics of TET2. This poster will discuss how the composition of both the substrate and complement impact 5mC oxidation.

Impact of nucleic acid backbone composition on TET2: Computational study

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.