4.8 Article

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

Journal

NATURE METHODS
Volume 11, Issue 4, Pages 413-+

Publisher

NATURE PUBLISHING GROUP
DOI: 10.1038/NMETH.2876

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Funding

  1. US National Science Foundation [CNS-0619926]
  2. Burroughs Wellcome Career Award at the Scientific Interface
  3. US National Institutes of Health (NIH) [R21 GM102716]
  4. NIH [GM73969, GM22939]
  5. Swiss National Science Foundation and the European Commission (BIO-NMR)
  6. Deutsche Forschungsgemeinschaft (Cluster of Excellence)
  7. European Commission (Bio-NMR)

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Structured noncoding RNAs underlie fundamental cellular processes, but determining their three-dimensional structures remains challenging. We demonstrate that integrating H-1 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 angstrom all-heavy-atom r.m.s. deviation) in 18 cases.

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