Chelated Magnesium Logic Gate Regulates Riboswitch Pseudoknot Formation.

ABSTRACT: Magnesium plays a critical role in the structure, dynamics, and function of RNA. The precise microscopic effect of chelated magnesium on RNA structure is yet to be explored. Magnesium is known to act through its diffuse cloud around RNA, through the outer sphere (water-mediated), inner sphere, and often chelated ion-mediated interactions. A mechanism is proposed for the role of experimentally discovered site-specific chelated magnesium ions on the conformational dynamics of SAM-I riboswitch aptamers in bacteria. This mechanism is observed with atomistic simulations performed in a physiological mixed salt environment at a high temperature. The simulations were validated with phosphorothioate interference mapping experiments that help to identify crucial inner-sphere Mg²⁺ sites pr

SUBMITTER: Sarkar R 

PROVIDER: S-EPMC8988897 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature