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-Reference-Cited by-同舟云学术

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

Published:2022-12-15 Issue:1 Volume:19 Page:349-362
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhao Yuan-Yuan¹,Xu Xiao-Long¹,Deng Hao¹,Wang Kang-Ning¹,Rahman Adua²,Ma Yue²,Shaik Fathima²,Wang Chun-Mei³,Qian Ping¹⁴,Guo Hong²^ORCID

Affiliation:

1. Chemistry and Material Science Faculty, Shandong Agricultural University, Taian 271018, P. R. China

2. Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee 37996, United States

3. Network Technology Center, Fushun Vocational Technical Institute, Fushun 110172, P. R. China

4. Key Laboratory of Agricultural Film Application of Ministry of Agriculture and Rural Affairs, Taian 271018, P. R. China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shandong Province

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00668

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5. In Vitro and in Vivo Analyses of a Phe/Tyr Switch Controlling Product Specificity of Histone Lysine Methyltransferases