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2L8U: Nmr Spectroscopy And Molecular Dynamics Simulation Of R(Ccgcugcgg)2 Reveal A Dynamic Uu Internal Loop Found In Myotonic Dystrophy Type 1 - Uu Pair With One Hydrogen Bond Pair
NMR Spectroscopy and Molecular Dynamics Simulation of r(CCGCUGCGG)(2) Reveal a Dynamic UU Internal Loop Found in Myotonic Dystrophy Type 1
Biochemistry (2011) 50 p.599-601
The NMR structure of an RNA with a copy of the 5'CUG/3'GUC motif found in the triplet repeating disorder myotonic dystrophy type 1 (DM1) is disclosed. The lowest energy conformation of the UU pair is a single-hydrogen bond structure; however, the UU protons undergo exchange indicating structural dynamics. Molecular dynamics simulations show that the single hydrogen bond structure is the most populated one but the UU pair interconverts among zero, one, and two hydrogen bond pairs. These studies have implications for the recognition of the DM1 RNA by small molecules and proteins.