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

Nature Methods (Impact Factor: 25.95). 03/2014; DOI: 10.1038/nmeth.2876
Source: PubMed

ABSTRACT Structured noncoding RNAs underlie fundamental cellular processes, but determining their three-dimensional structures remains challenging. We demonstrate that integrating (1)H 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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