核磁共振核苷酸间距离对B-DNA构象的敏感性：潜在机制
Sensitivity of NMR internucleotide distances to B-DNA conformation: underlying mechanics.
作者信息
Lefebvre A, Fermandjian S, Hartmann B
机构信息
Département de Biologie Structurale, URA 147 C.N.R.S., Institut Gustave Roussy, P.R.2, 39 rue C. Desmoulins, F-94805 Villejuif Cedex, France.
出版信息
Nucleic Acids Res. 1997 Oct 1;25(19):3855-62. doi: 10.1093/nar/25.19.3855.
Nuclear magnetic resonance (NMR) spectroscopy, combining correlated spectroscopy (COSY) coupling constant measurements with nuclear Overhauser effect spectroscopy (NOESY) interatomic distances, should make it possible to determine an averaged solution structure for DNA oligomers. However, even if such data could be obtained with high accuracy, it is not clear which structural parameters of DNA would be determined. Here, the relationships between measurable internucleotide distances and helical parameters are systematically studied through molecular modelling. Investigations are carried out using four representative sequences, (ACGT)n, (TCGA)n, (AGCT)n and (TGCA)n, composed of repeated tetranucleotides belonging to oligomers previously studied by NMR. Correlations between interatomic distances become evident and strong connections between distances and inter-base helical parameters are observed. Results imply that twist, roll, shift and slide values can be accurately determined from NMR data. Sequence independent mechanical coupling which link backbone and sugar conformations to helical twist are also described.
核磁共振（NMR）光谱结合了相关光谱（COSY）耦合常数测量与核Overhauser效应光谱（NOESY）原子间距离，应该能够确定DNA寡聚物的平均溶液结构。然而，即使能够高精度地获得此类数据，也不清楚DNA的哪些结构参数能够被确定。在此，通过分子建模系统地研究了可测量的核苷酸间距离与螺旋参数之间的关系。使用四个代表性序列（ACGT）n、（TCGA）n、（AGCT）n和（TGCA）n进行研究，这些序列由属于先前通过NMR研究的寡聚物的重复四核苷酸组成。原子间距离之间的相关性变得明显，并且观察到距离与碱基间螺旋参数之间有很强的联系。结果表明，可以从NMR数据中准确确定扭转、滚动、位移和滑动值。还描述了将主链和糖构象与螺旋扭转联系起来的序列无关的机械耦合。
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