Determination of DNA conformational features from selective two-dimensional NMR experiments
- Lawrence Berkeley Lab., CA (United States)
Selective two-dimensional NMR correlation experiments are demonstrated to be particularly well suited to the problem of obtaining quantitative three-bond coupling constants in samples of DNA. The techniques were demonstrated by obtaining high-resolution spectra of cross peaks between sugar protons, which were then iteratively fitted to simulations derived from trial coupling topologies to determine the coupling constants which contribute to the cross-peak patterns. These coupling constants were then used to determine structural parameters such as the phase angle of the deoxyribose pseudorotation and the backbone torsion angles {delta} and {epsilon}. Examples are given for both single-stranded and duplex DNA. We have studied both the unmodified 8-mer duplex d(GCGTACGC){sub 2} and the furan-side monoadduct formed between the thymidine of one of the strands and 4{prime}-(hydroxymethyl)-4,5{prime},8-trimethylpsoralen (HMT) of the same DNA sequence. We comment on the structural differences between the two. 44 refs., 7 figs., 1 tab.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FG05-86ER75281; AC03-76SF00098
- OSTI ID:
- 41661
- Journal Information:
- Journal of the American Chemical Society, Vol. 115, Issue 17; Other Information: PBD: 25 Aug 1993
- Country of Publication:
- United States
- Language:
- English
Similar Records
Wavelength dependence for the photoreactions of DNA-Psoralen monoadducts. 1. Photoreversal of monoadducts
Wavelength dependence for the photoreactions of DNA-psoralen monoadducts. 2. Photo-cross-linking of monoadducts