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AbstractAbstract
[en] The sugar conformation of a DNA decamer was studied with proton-proton 3J coupling constants. Two samples, one comprising stereospecifically labeled 2'-R-2H for all residues and the other 2'-S-2H, were prepared by the method of Kawashima et al. [J. Org. Chem. (1995) 60, 6980-6986; Nucleosides Nucleotides (1995) 14, 333-336], the deuterium labeling being highly stereospecific ≥ 99% for all 2''-2H, ≥ 98% for 2'-2H of A, C, and T, and ≥ 93% for 2'-2H of G). The 3J values of all H1'-H2' and H1'-H2'' pairs, and several H2'-H3' and H2''-H3' pairs were determined by line fitting of 1D spectra with 0.1-0.2 Hz precision. The observed J coupling constants were explained by the rigid sugar conformation model, and the sugar conformations were found to be between C3'-exo and C2'-endo with Φm values of 26 deg. to 44 deg., except for the second and 3' terminal residues C2 and C10. For the C2 and C10 residues, the lower fraction of S-type conformation was estimated from JH1'H2' and JH1'H2'' values. For C10, the N-S two-site jump model or Gaussian distribution of the torsion angle model could explain the observed J values, and 68% S-type conformation or C1'-exo conformation with 27 deg. distribution was obtained, respectively. The differences between these two motional models are discussed based on a simple simulation of J-coupling constants
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Source
Copyright (c) 2001 Kluwer Academic Publishers; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
Journal of Biomolecular NMR; ISSN 0925-2738;
; v. 19(1); p. 19-31

Country of publication
BETA DECAY RADIOISOTOPES, BETA-PLUS DECAY RADIOISOTOPES, CARBOHYDRATES, CARBON ISOTOPES, DISACCHARIDES, EVEN-EVEN NUCLEI, FUNCTIONS, HYDROGEN ISOTOPES, ISOTOPES, LIGHT NUCLEI, NUCLEI, NUCLEIC ACIDS, NUCLEOTIDES, ODD-EVEN NUCLEI, ODD-ODD NUCLEI, OLIGOSACCHARIDES, ORGANIC COMPOUNDS, RADIOISOTOPES, RIBOSIDES, SACCHARIDES, SECONDS LIVING RADIOISOTOPES, STABLE ISOTOPES
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