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

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

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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...

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Bibliographic Details
Main Authors: Sripakdeevong, P, Cevec, M, Chang, A, Erat, M, Ziegeler, M, Zhao, Q, Fox, G, Gao, X, Kennedy, S, Kierzek, R, Nikonowicz, E, Schwalbe, H, Sigel, R, Turner, D, Das, R
Format: Journal article
Language:English
Published: Nature Publishing Group 2014
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Summary: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. © 2014 Nature America, Inc. All rights reserved.

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