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Nucleic Acids Research, 1983, Vol. 11, No. 20 7215-7230
© 1983

CHEMISTRY

Carbon-13 NMR in conformational analysis of nudeic add fragments. Heteronuclear chemical shift correlation spectroscopy of RNA constitutents

Peter P. Lankhorst, Cornelis Erkelens, Cornelis A.G. Haasnoot* and Cornelis Altona

Gorlaeus Laboratories, State University of Leiden P.O. Box 9502, 2300 RA Leiden *Department of Biophysical Chemistry, Toernooiveld Faculty of Science, University of Nijmegen 6525 ED Nijmegen, The Netherlands

Received July 25, 1983. Accepted September 20, 1983.

The assignment of the non-quaternary 13C resonances by means of two-dimensional heteronuclear chemical shift correlation spectroscopy is presented for several oligoribonucleotides: The dimers Formula, Formula and Formula and the trimers Formula and Formula. The temperature and concentration dependency of the 13C chemical shifts are studied with emphasis on the behaviour of the dimer Formula.

The present study shows that in the 5–50 mM range the concentration-dependent chemical shift changes of the ribose carbons are negligible compared to chemical shift changes due to intramolecular events. All compounds studied show a surprising correlation between the chemical shifts of the carbon atoms of the ribose ring and the sugar conformational equilibrium as expressed by the percentage N or S conformer. Thus the chemical shift data can be used to obtain the thermodynamical parameters of the two-state N/S equilibrium. Parameters deduced for Formula are Tm = 306 K and {Delta}S = –25 cal mol–1 K–1, which values are in satisfacto agreement with results obtained earlier from 1H NMR and from Circular Dichroism.


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