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.

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Citation

Copyright 2014 Nature methods. This is a post-print version of a published paper available at: https://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC3985481&blobtype=pdf. Recommended citation: Sripakdeevong, Parin, Mirko Cevec, Andrew T. Chang, Michèle C. Erat, Melanie Ziegeler, Qin Zhao, George E. Fox et al. "Structure determination of noncanonical RNA motifs guided by 1 H NMR chemical shifts." Nature methods 11, no. 4 (2014): 413. DOI: 10.1038/nmeth.2876. This item has been deposited in accordance with publisher copyright and licensing terms with the author’s permission.