Potential effects of metal ion induced two-state allostery on the regulatory mechanism of add adenine riboswitch.

Autor: Bao L; School of Public Health, Hubei University of Medicine, Shiyan, Hubei, 442000, China. bolly@whu.edu.cn., Kang WB; School of Public Health, Hubei University of Medicine, Shiyan, Hubei, 442000, China., Xiao Y; Institute of Biophysics, School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, 430074, China.
Jazyk: angličtina
Zdroj: Communications biology [Commun Biol] 2022 Oct 22; Vol. 5 (1), pp. 1120. Date of Electronic Publication: 2022 Oct 22.
DOI: 10.1038/s42003-022-04096-z
Abstrakt: Riboswitches normally regulate gene expression through structural changes in response to the specific binding of cellular metabolites or metal ions. Taking add adenine riboswitch as an example, we explore the influences of metal ions (especially for K + and Mg 2+ ions) on the structure and dynamics of riboswitch aptamer (with and without ligand) by using molecular dynamic (MD) simulations. Our results show that a two-state transition marked by the structural deformation at the connection of J12 and P1 (C J12-P1 ) is not only related to the binding of cognate ligands, but also strongly coupled with the change of metal ion environments. Moreover, the deformation of the structure at C J12-P1 can be transmitted to P1 directly connected to the expression platform in multiple ways, which will affect the structure and stability of P1 to varying degrees, and finally change the regulation state of this riboswitch.
(© 2022. The Author(s).)
Databáze: MEDLINE
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