title: NMR spectroscopy and molecular dynamics simulation of r(CCGCUGCGG)₂ reveal a dynamic UU internal loop found in myotonic dystrophy type 1.
abstract: 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.
authors.affiliation: The Kellogg School of Science and Technology and Department of Chemistry, The Scripps Research Institute, Scripps Florida, 130 Scripps Way #3A1, Jupiter, Florida 33458, United States.
authors.forename: Raman
authors.initials: R
authors.lastname: Parkesh
authors.forename: Matthew
authors.initials: M
authors.lastname: Fountain
authors.forename: Matthew D
authors.initials: MD
authors.lastname: Disney
mesh_terms: D020413:3' Untranslated Regions; D001483:Base Sequence; D006801:Humans; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D056004:Molecular Dynamics Simulation; D009223:Myotonic Dystrophy / Q000235:genetics; D065636:Myotonin-Protein Kinase; D009690:Nucleic Acid Conformation; D017346:Protein Serine-Threonine Kinases / Q000737:chemistry* / Q000235:genetics*; D012313:RNA / Q000737:chemistry* / Q000235:genetics; D013816:Thermodynamics; D018911:Trinucleotide Repeats
chemical_list: D020413:3' Untranslated Regions; C585517:DMPK protein, human; D012313:RNA; D065636:Myotonin-Protein Kinase; D017346:Protein Serine-Threonine Kinases