B型DNA主链的柔韧性：局部和相邻序列对嘧啶-嘌呤步移的影响。
Flexibility of the B-DNA backbone: effects of local and neighbouring sequences on pyrimidine-purine steps.
作者信息
Bertrand H, Ha-Duong T, Fermandjian S, Hartmann B
机构信息
Département de Biologie et Pharmacologie Structurales, Institut Gustave Roussy, URA CNRS 147, 39 rue Camille Desmoulins, 94805 Villejuif Cedex, France.
出版信息
Nucleic Acids Res. 1998 Mar 1;26(5):1261-7. doi: 10.1093/nar/26.5.1261.
The structurally correlated dihedral angles epsilon and zeta are known for their large variability within the B-DNA backbone. We have used molecular modelling to study both energetic and mechanical features of these variations which can produce BI/BII transitions. Calculations were carried out on DNA oligomers containing either YpR or RpY dinucleotides steps within various sequence environments. The results indicate that CpA and CpG steps favour the BI/BII transition more than TpA or any RpY step. The stacking energy and its intra- and inter-strand components explain these effects. Analysis of neighbouring base pairs reveals that BI/BII transitions of CpG and CpA are easiest within (Y)n(R)n sequences. These can also induce a large vibrational amplitude for TpA steps within the BI conformation.
结构相关的二面角ε和ζ在B-DNA主链中具有很大的变异性。我们利用分子建模来研究这些变异的能量和力学特征，这些特征可产生BI/BII转变。对在各种序列环境中包含YpR或RpY二核苷酸步的DNA寡聚物进行了计算。结果表明，CpA和CpG步比TpA或任何RpY步更有利于BI/BII转变。堆积能量及其链内和链间成分解释了这些效应。对相邻碱基对的分析表明，CpG和CpA的BI/BII转变在(Y)n(R)n序列中最容易发生。这些转变还可在BI构象中诱导TpA步产生较大的振动幅度。
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