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

Sripakdeevong, Parin; Cevec, Mirko; Chang, Andrew T; Erat, Michèle C; Ziegeler, Melanie; Zhao, Qin; Fox, George E; Gao, Xiaolian et al. · Nat Methods · 2014

basic_science · Level V

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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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