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
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
(C4'-C3'-03'-P), which amounts to 195° in the trans conformer and to 261° in the gauche(-) conformer.