Structural non-rigidity of hetero-aromatic bases in nucleic acids


L. Trantírek1, S. Trantirkova1, B. Schneider2, V. Sychrovsky2, N. Spackova3, J. Sponer3


1of Biological Sciences, University of South Bohemia and Institute of Parasitology AS CR, Branisovska 31, Ceske Budejovice, Czech Republic

2of Organic Chemistry and Biochemistry AS CR, Flemingovo namesti 2, Prague, Czech Republic

3of Biophysics AS CR, Kralovopolska 135, Brno, Czech Republic



Deviations from ideal sp3 and sp2 geometry at C1' and N1/9 sites were analyzed for about 400 nucleosides extracted from crystallographic structures of nucleic acids derived at ultra-high (atomic) resolution.  The influence of the structural non-rigidity of nucleic acid bases on parameterizations of Karplus-like relationships for NMR scalar coupling constants and CSA/DD cross-correlated relaxation rates across the glycosidic bond will be discussed.


This work was supported by Ministry of Education of the Czech Republic (1K04011) and, by Grant Agency of the Czech Republic (204/04/P191  and 203/05/0388).