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Solution structure of the CpG containing d(CTTCGAAG)2 oligonucleotide: NMR data and energy calculations are compatible with a BI/BII equilibrium at CpG.含CpG的d(CTTCGAAG)2寡核苷酸的溶液结构：核磁共振数据和能量计算结果与CpG处的BI/BII平衡相符。
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Determination of sugar conformations by NMR in larger DNA duplexes using both dipolar and scalar data: application to d(CATGTGACGTCACATG)2.利用偶极和标量数据通过核磁共振确定较大DNA双链体中的糖构象：应用于d(CATGTGACGTCACATG)2
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NMR studies and restrained-molecular-dynamics calculations of a long A+T-rich stretch in DNA. Effects of phosphate charge and solvent approximations.DNA中富含A+T的长链片段的核磁共振研究与受限分子动力学计算。磷酸电荷和溶剂近似的影响。
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How to generate accurate solution structures of double-helical nucleic acid fragments using nuclear magnetic resonance and restrained molecular dynamics.如何利用核磁共振和受限分子动力学生成双螺旋核酸片段的精确溶液结构。
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Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.两种不同空间群中B-DNA十聚体C-C-A-A-C-I-T-T-G-G的结构：B-DNA的构象灵活性
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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.

DOI:10.1093/nar/25.19.3855
PMID:9380508
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC146986/
Abstract

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.

摘要

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。