Kinetics of allosteric transitions in S-adenosylmethionine riboswitch are accurately predicted from the folding landscape.

ABSTRACT: Riboswitches are RNA elements that allosterically regulate gene expression by binding cellular metabolites. The SAM-III riboswitch, one of several classes that binds S-adenosylmethionine (SAM), represses translation upon binding SAM (OFF state) by encrypting the ribosome binding sequence. We have carried out simulations of the RNA by applying mechanical force (f) to the ends of SAM-III, with and without SAM, to get quantitative insights into the f-dependent structural changes. Force-extension (z) curves (FECs) for the apo (ON) state, obtained in simulations in which f is increased at a constant loading rate, show three intermediates, with the first one being the rupture of SAM binding region, which is greatly stabilized in the OFF state. Force-dependent free energy profiles, G(z,f), as a f

SUBMITTER: Lin JC 

PROVIDER: S-EPMC3861500 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature