Sugar pucker modulates the cross-correlated relaxation rates across the glycosidic bond in DNA
Language English Country United States Media print
Document type Journal Article, Research Support, Non-U.S. Gov't
PubMed
16231919
DOI
10.1021/ja050894t
Knihovny.cz E-resources
- MeSH
- DNA chemistry MeSH
- Glycosides chemistry MeSH
- Nucleosides chemistry MeSH
- Computer Simulation MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- DNA MeSH
- Glycosides MeSH
- Nucleosides MeSH
The dependence of N1/9 and C1' chemical shielding (CS) tensors on the glycosidic bond orientation (chi) and sugar pucker (P) in the DNA nucleosides 2'-deoxyadenosine, 2'-deoxyguanosine, 2'-deoxycytidine, and 2'-deoxythymidine was studied using the calculation methods of quantum chemistry. The results indicate that these CS-tensors exhibit a significant degree of conformational dependence on chi and P structural parameters. The presented data test underlying assumptions of currently established methods for interpretation of cross-correlated relaxation rates between the N1/9 chemical shielding tensor and C1'-H1' dipole-dipole (Ravindranathan et al. J. Biomol. NMR 2003, 27, 365-75. Duchardt et al. J. Am. Chem. Soc. 2004, 126, 1962-70) and highlight possible limitations of these methods when applied to DNA.
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