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Nucleic Acids Research, 1981, Vol. 9, No. 6 1405-1424
© 1981

CHEMISTRY

Conformational analysis of a modified ribotetranucleoside triphosphate: m62A-U-m62A-U studied in aqueous solution by nuclear magnetic resonance at 500 MHz1

Arnold J. Hartel, Gerrie Wille-Hazeleger, Jacques H. van Boom and Cornelis Altona

Gorlaeus Laboratories, State University P.O. Box 9502, 2300 RA Leiden, The Netherlands

Received January 20, 1981. The complete and unequivocal assignment of the 24 ribose proton signals of Formula by means of 500 MHz NMR spectroscopy at 17°C is given. This assignment is based on scrupulous decoupling experiments carried out at various temperatures. Analysis of the observed chemical shifts and coupling constants of the tetramer shows that the two fragments Formula comprising the 3'-end occur mainly in the classical right-handed stack conformation, whereas at the 5'-end the -U(2)- residue appears bulged out in favour of a less well-defined stacking interaction between the bases Formula and Formula. Conformational populations about each of the torsional degrees of freedom along the backbone are discussed. A modernized version of pseudo-rotation analysis is used to delineate the conformational behaviour of the four ribose rings.


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