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

Nat Methods. 2014 Apr;11(4):413-6. doi: 10.1038/nmeth.2876. Epub 2014 Mar 2.


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.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Nucleotide Motifs*
  • RNA, Untranslated / chemistry*


  • RNA, Untranslated