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Structure determination of noncanonical RNA motifs guided by (1)H NMR chemical shifts

Structured non-coding RNAs underline fundamental cellular processes, but determining their 3D structures remains challenging. We demonstrate herein that integrating NMR (1)H chemical shift data with Rosetta de novo modeling can consistently return high-resolution RNA structures. On a benchmark set o...

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Detalles Bibliográficos
Autores principales: Sripakdeevong, Parin, Cevec, Mirko, Chang, Andrew T., Erat, Michèle C., Ziegeler, Melanie, Zhao, Qin, Fox, George E., Gao, Xiaolian, Kennedy, Scott D., Kierzek, Ryszard, Nikonowicz, Edward P., Schwalbe, Harald, Sigel, Roland K. O., Turner, Douglas H., Das, Rhiju
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3985481/
https://www.ncbi.nlm.nih.gov/pubmed/24584194
http://dx.doi.org/10.1038/nmeth.2876
Descripción
Sumario:Structured non-coding RNAs underline fundamental cellular processes, but determining their 3D structures remains challenging. We demonstrate herein that integrating NMR (1)H chemical shift data with Rosetta de novo modeling can consistently return 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 the experimental structures with high accuracy (0.6 to 2.0 Å all-heavy-atom rmsd) in 18 cases.