Insights into the structural stability of major groove RNA triplexes by WAXS-guided MD simulations.

ABSTRACT: RNA triple helices are commonly observed tertiary motifs that are associated with critical biological functions, including signal transduction. Because the recognition of their biological importance is relatively recent, their full range of structural properties has not yet been elucidated. The integration of solution wide-angle X-ray scattering (WAXS) with molecular dynamics (MD) simulations, described here, provides a new way to capture the structures of major-groove RNA triplexes that evade crystallographic characterization. This method yields excellent agreement between measured and computed WAXS profiles and allows for an atomically detailed visualization of these motifs. Using correlation maps, the relationship between well-defined features in the scattering profiles and real space c

SUBMITTER: Chen YL 

PROVIDER: S-EPMC9351628 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature