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Nucleic Acids Research, 1984, Vol. 12, No. 13 5419-5428
© 1984


CHEMISTRY

Carbon-13 NMR in conformational analysis of nucleic acid fragments 3. The magnitude of torsional angle in d(TpA) from CCOP and HCOP NMR coupling constants

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

Gorlaeus Laboratories, State University of Leiden PO Box 9502, 2300 RA Leided *Department of Biophysical Chemistry, Toernooiveld Faculty of Science, University of Nimegen 6525 ED Nijmegen, The Netherlands

Received April 27, 1984. Accepted June 1, 1984.

Carbon-13 NMR spectra of the deoxyribonucleotide d(TpA), 3', 5'-cyclic AMP and 3', 5'-cyclic dAMP were measured. It is shown that the different substitution of C2' in deoxyribonucleotides versus ribonucleotides does not affect the vicinal C2'-C3'-03'-P coupling to a measurable extent. Therefore, the same set of Karplus parameters may be used for the C2'-C3'-03'-P couplings in ribonucleotides and in deoxyribonucleotides.

Vicinal carbon-phosphorus and proton-phosphorus coupling constants are used to calculate the magnitude of the torsion angle {varepsilon}(C4'-C3'-03'-P), which amounts to 195° in the trans conformer and to 261° in the gauche(-) conformer.


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