We thank Beatrix Suess and Julia E. Weigand for providing the 27-mer riboswitch RNA and Jens Wöhnert for helpful discussions. This work was supported by the state of Hesse (BMRZ), the DFG (SFB579: “RNA-Ligand-Interaction”), the Studienstiftung des Deutschen Volkes (grants to S.N. and B.F.), and CitySolar AG (grant to P.G.). H.S. is member of the DFG-funded Cluster of Excellence: Macromolecular Complexes.
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Communication
Determination of the Conformation of the 2′OH Group in RNA by NMR Spectroscopy and DFT Calculations†
Article first published online: 20 APR 2011
DOI: 10.1002/anie.201007844
Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Nozinovic, S., Gupta, P., Fürtig, B., Richter, C., Tüllmann, S., Duchardt-Ferner, E., Holthausen, M. C. and Schwalbe, H. (2011), Determination of the Conformation of the 2′OH Group in RNA by NMR Spectroscopy and DFT Calculations. Angew. Chem. Int. Ed., 50: 5397–5400. doi: 10.1002/anie.201007844
- †
Publication History
- Issue published online: 23 MAY 2011
- Article first published online: 20 APR 2011
- Manuscript Received: 13 DEC 2010
Funded by
- state of Hesse
- DFG
- Studienstiftung des Deutschen Volkes
Keywords:
- conformation analysis;
- density functional calculations;
- NMR spectroscopy;
- RNA
Pucker up! The 2′OH group in RNA is responsible for the change in the predominant sugar conformation, which is key to the catalytic activity and involved in critical H-bonding interactions. In a combined NMR spectroscopic and quantum chemical investigation, the conformational dependence of 1J(C1′,H1′) and 1J(C2′,H2′) coupling constants is derived. The precise conformation of the sugar, nucleobase, and the 2′OH group can be determined based on these coupling constants.