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Structural and Energetic Origin of Different Product Specificities and Activities for SETD3 and Its Mutants on the Methylation of the β-Actin H73K Peptide: Insights from a QM/MM Study
- Source :
- Journal of chemical theory and computation.
- Publication Year :
- 2022
-
Abstract
- The methylation of the lysine residue can affect some fundamental biological processes, and specific biological effects of the methylations are often related to product specificity of methyltransferases. The question remains concerning how active-site structural features and dynamics control the activity as well as the number (1, 2, or 3) of methyl groups on methyl lysine products. SET domain containing protein 3 (SETD3) has been identified recently as the β-actin histidine73-N
- Subjects :
- Physical and Theoretical Chemistry
Computer Science Applications
Subjects
Details
- ISSN :
- 15499626
- Database :
- OpenAIRE
- Journal :
- Journal of chemical theory and computation
- Accession number :
- edsair.doi.dedup.....08312edd37cdf4c455836a4b38f5e9bc