title: Structure determination of noncanonical RNA motifs guided by ¹H NMR chemical shifts.
abstract: Structured noncoding RNAs underlie fundamental cellular processes, but determining their three-dimensional structures remains challenging. We demonstrate that integrating ¹H NMR chemical shift data with Rosetta de novo modeling can be used to consistently determine high-resolution RNA structures. On a benchmark set of 23 noncanonical RNA motifs, including 11 'blind' targets, chemical-shift Rosetta for RNA (CS-Rosetta-RNA) recovered experimental structures with high accuracy (0.6-2.0 Å all-heavy-atom r.m.s. deviation) in 18 cases.
authors.affiliation: Biophysics Program, Stanford University, Stanford, California, USA.
authors.forename: Parin
authors.initials: P
authors.lastname: Sripakdeevong
authors.affiliation: Center for Biomolecular Magnetic Resonance, Institute for Organic Chemistry and Chemical Biology, Johann Wolfgang Goethe University Frankfurt, Frankfurt, Germany.
authors.forename: Mirko
authors.initials: M
authors.lastname: Cevec
authors.affiliation: Department of Biochemistry and Cell Biology, Rice University, Houston, Texas, USA.
authors.forename: Andrew T
authors.initials: AT
authors.lastname: Chang
authors.affiliation: 1] Department of Biochemistry, University of Oxford, Oxford, UK. [2] Institute of Inorganic Chemistry, University of Zurich, Zurich, Switzerland.
authors.forename: Michèle C
authors.initials: MC
authors.lastname: Erat
authors.affiliation: Center for Biomolecular Magnetic Resonance, Institute for Organic Chemistry and Chemical Biology, Johann Wolfgang Goethe University Frankfurt, Frankfurt, Germany.
authors.forename: Melanie
authors.initials: M
authors.lastname: Ziegeler
authors.affiliation: Feinberg School of Medicine, Northwestern University, Chicago, Illinois, USA.
authors.forename: Qin
authors.initials: Q
authors.lastname: Zhao
authors.affiliation: Department of Biology and Biochemistry, University of Houston, Houston, Texas, USA.
authors.forename: George E
authors.identifier: 0000000177678387
authors.initials: GE
authors.lastname: Fox
authors.affiliation: Department of Biology and Biochemistry, University of Houston, Houston, Texas, USA.
authors.forename: Xiaolian
authors.initials: X
authors.lastname: Gao
authors.affiliation: Department of Biochemistry and Biophysics, University of Rochester School of Medicine and Dentistry, Rochester, New York, USA.
authors.forename: Scott D
authors.initials: SD
authors.lastname: Kennedy
authors.affiliation: Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland.
authors.forename: Ryszard
authors.initials: R
authors.lastname: Kierzek
authors.affiliation: Department of Biochemistry and Cell Biology, Rice University, Houston, Texas, USA.
authors.forename: Edward P
authors.initials: EP
authors.lastname: Nikonowicz
authors.affiliation: Center for Biomolecular Magnetic Resonance, Institute for Organic Chemistry and Chemical Biology, Johann Wolfgang Goethe University Frankfurt, Frankfurt, Germany.
authors.forename: Harald
authors.initials: H
authors.lastname: Schwalbe
authors.affiliation: Institute of Inorganic Chemistry, University of Zurich, Zurich, Switzerland.
authors.forename: Roland K O
authors.initials: RK
authors.lastname: Sigel
authors.affiliation: Department of Chemistry, University of Rochester, Rochester, New York, USA.
authors.forename: Douglas H
authors.initials: DH
authors.lastname: Turner
authors.affiliation: 1] Biophysics Program, Stanford University, Stanford, California, USA. [2] Department of Biochemistry, Stanford University, Stanford, California, USA. [3] Department of Physics, Stanford University, Stanford, California, USA.
authors.forename: Rhiju
authors.initials: R
authors.lastname: Das
mesh_terms: D000818:Animals; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D059372:Nucleotide Motifs; D022661:RNA, Untranslated / Q000737:chemistry*
chemical_list: D022661:RNA, Untranslated