Two-dimensional COSY and two-dimensional NOE spectroscopy of d(AC)4.d(GT)4: extraction of structural constraints.
Two-dimensional COSY and two-dimensional NOE spectroscopy of d(AC)4.d(GT)4: extraction of structural constraints.
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d(AC)4.d(GT)4 的二维 COSY 和二维 NOE 光谱：结构约束的提取。
DOI：
10.1021/bi00503a003
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发表时间：
1990
期刊：
影响因子：
2.9
通讯作者：
James,TL
中科院分区：
文献类型：
--
作者：
Gochin,M;Zon,G;James,TL
Departments of Pharmaceutical Chemistry and Radiology, University of California, San Francisco, California 94143 Received March 8, 1990; Revised Manuscript Received June 7, 1990 abstract: Pure absorption phase, proton two-dimensional nuclear Overhauser effect (2D NOE) and double-quantum-filtered COSY (DQF-COSY) spectra were recorded for d (AC) 4* d (GT) 4. A full proton resonance assignment was made, except for the 5'and 5" protons. A new semiautomatic method for improved quantitation of 2D NOE peak intensities was developed, and its limitations and usefulness were examined. With this new method, 2D NOE intensity sets at several mixing times were obtained. Simulations of theT2', 2", and 2'3'DQF-COSY cross-peaks were compared with experimentaldata, establishing an alternating sugar pucker for the alternating purine-pyrimidine sequence. Scalar coupling constants for the sugar ring protons, derived from the fitting of the simulated spectra, are reported. Complete relaxation matrix analysis of the 2D NOE spectrum verified this alternating structure for all NOE interactions between nonexchangeable protons. Both the DQF-COSY and the 2D NOE results qualitatively indicate that the structure of d-(AC) 4* d (GT) 4 resembles wrinkled D-DNA in aqueous solution.
