Deoxyribose ring conformation of [d(GGTATACC)]2: an analysis of vicinal proton-proton coupling constants from two-dimensional proton nuclear magnetic resonance.
Deoxyribose ring conformation of [d(GGTATACC)]2: an analysis of vicinal proton-proton coupling constants from two-dimensional proton nuclear magnetic resonance.
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[d(GGTATACC)]2 的脱氧核糖环构象：二维质子核磁共振对邻位质子-质子耦合常数的分析。
DOI：
10.1021/bi00416a028
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发表时间：
1988
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：
Zhou,N;Manogaran,S;Zon,G;James,TL
摘要：利用二维核Overhausser效应（2DNOE）谱，对[d（GGTATACC）] 2在CaCO 2水溶液中的可交换质子和不可交换质子进行了归属.用相敏COSY和双量子滤波COSY（DQF-COSY）实验，观察到了脱氧核糖环构象敏感的质子-质子邻位偶联的交叉峰，即所有的Y-2 '、Y-2”、2'-3 '和3'-4 '偶联以及6个2/、-3/偶联的交叉峰。从交叉峰精细结构，可以确认2 '，2”质子归属;获得偶合常数Jvr和Jv 2 n以及涉及所有残基的H2'和H2”以及C8的H3'的偶合常数的总和。DISCO程序[Kessler，H.，穆勒，A.，& Oschkinat，H. 05 The Dog of the Woman（1985）23，844-852]用于提取单独的Y-2 '和1'-2”偶合常数。涉及H1 '或H3'的耦合常数的总和从信号重叠不是问题的一维光谱测量。以Rinkel和Altona [Rinkel，L. J.，& Altona，C.等人（1987）J. Biomol.结构动力学4，621-649]，得出以下结论：C2 '-内切脱氧核糖环构象对于每个残基是主要的，但也可能存在大量的C3'-内切构象，范围从14%到30%。（Saenger，1984年; Altona，1982），DNA分子中的脱氧核糖糖环作为两种不同类型的构象异构体出现，通常表示为N型[具有五元环假旋转相位角（Altona和Sundaralingam，1972）P= 0±90，包括C3 '-内、C2'-外和C4 '-外]和S型（P= 180±90，包括C2'-内、C3 '-外和C1'-外）。在B-DNA中，糖环通常是S型的。这项工作得到了美国国家科学基金会的支持。（拨款PCM 84-04198），美国国立卫生研究院（赠款CA 27343和RR 01695），石油研究基金的捐助者，由美国化学学会管理，以及来自美国国立卫生研究院（RR 016688）和国家科学基金会（DMB 84-06826）的仪器赠款。
Revised Manuscript Received April 4, 1988 abstract: Exchangeable and nonexchangeable protons of [d (GGTATACC)] 2 in aqueous cacodylatesolution were assigned from two-dimensional nuclear Overhausser effect (2D NOE) spectra. With phase-sensitive COSY and double quantumfiltered COSY (DQF-COSY) experiments, the cross-peaks resulting from deoxyribose ring conformation sensitive proton-proton vicinal couplings, ie, all Y-2', Y-2", 2'-3', and 3'-4'couplings and six from 2/,-3/couplings, were observed. From the cross-peak fine structure, the 2', 2" proton assignments can be confirmed; coupling constants Jvr and JV2 „and sums of coupling constants involving H2'and H2" for all residues and H3'for C8 were obtained. The DISCO procedure [Kessler, H., Muller, A., & Oschkinat, H.(1985) Magn. Reson. Chem. 23, 844-852] was used to extract individual Y-2'and l'-2" coupling constants. The sum of coupling constants involving HI'or H3'was measured from the one-dimensional spectrum where signal overlap is not a problem. Analysis of the resulting coupling constants and sums of coupling constants, in the manner of Rinkel and Altona [Rinkel, L. J., & Altona, C.(1987) J. Biomol. Struct. Dyn. 4, 621-649], led to the following conclusion: C2'-endo deoxyribose ring conformation is predominant for every residue, but a significant amount of C3'-endo conformation may exist, ranging from 14% to 30%.5^-ray diffraction and NMR studies provide evidence (Saenger, 1984; Altona, 1982) that deoxyribose sugar rings in DNA molecules occur as two distinct types of conformers, commonly denoted as N-type [with the five membered ring pseudorotation phase angle (Altona & Sundaralingam, 1972) P= 0±90, including C3'-endo, C2'-exo, and C4'-exo] and S-type (with P= 180±90, including C2'-endo, C3'-exo, and Cl'-exo). In B-DNA, sugar rings are generally in S-type tThis work was supported by the National Science Foundation (Grant PCM 84-04198), the National Institutes of Health (Grants CA 27343 and RR01695), donors of the Petroleum Research Fund, administered by the American Chemical Society, and instrumentation grants from the National Institutes of Health (RR 016688) and the National Science Foundation (DMB 84-06826).