Cooperative binding of bivalent ligands yields new insights into the guanidine-II riboswitch.

ABSTRACT: Riboswitches are involved in regulating the gene expression in bacteria. They are located within the untranslated regions of bacterial messenger RNA and function as switches by adjusting their shape, depending on the presence or absence of specific ligands. To decipher the fundamental aspects of bacterial gene control, it is therefore important to understand the mechanisms that underlie these conformational switches. To this end, a combination of an experimental binding study, molecular simulations and machine learning has been employed to obtain insights into the conformational changes and structural dynamics of the guanidine-II riboswitch. By exploiting the design of a bivalent ligand, we were able to study ligand binding in the aptamer dimer at the molecular level. Spontaneous ligand-bi

SUBMITTER: Steuer J 

PROVIDER: S-EPMC11423145 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature