d（CGCGAAT[]TCGCG）. d（CGCGAATTCGCG）的结构；胸腺嘧啶光二聚体掺入B-DNA螺旋结构中。
The structure of d(CGCGAAT[]TCGCG) . d(CGCGAATTCGCG); the incorporation of a thymine photodimer into a B-DNA helix.
作者信息
Rao S N, Keepers J W, Kollman P
出版信息
Nucleic Acids Res. 1984 Jun 11;12(11):4789-807. doi: 10.1093/nar/12.11.4789.
Abstract
In the light of the biological significance of thymine photodimers , studies of the energetics of the dodecanucleotide fragment d( CGCGAATTCGCG )2 have been carried out using the methods of molecular mechanics, with and without incorporation of a thymine dimer in the cis-syn configuration. The results of the calculations suggest that the thymine dimerized structures show no gross distortion in the double helix with the conformational changes relative to the normal B-DNA double helix restricted largely to the dimer region. The energetics of dTp[]dT reveal a number of conformers which are energetically almost equally favorable and are, as a group, qualitatively consistent with NMR studies on this molecule. The biological implications of the results of the conformational studies, reported here, have been examined vis-a-vis the currently available models for the recognition of DNA "damage" by repair enzymes.
摘要
鉴于胸腺嘧啶光二聚体的生物学意义，利用分子力学方法，对十二聚体片段d（CGCGAATTCGCG）₂进行了能量学研究，研究中考虑或不考虑顺式-顺式构型的胸腺嘧啶二聚体。计算结果表明，胸腺嘧啶二聚化结构在双螺旋中未显示出明显扭曲，相对于正常B-DNA双螺旋的构象变化主要局限于二聚体区域。dTp[]dT的能量学揭示了许多能量上几乎同样有利的构象体，作为一个整体，在性质上与对该分子的核磁共振研究一致。本文报道的构象研究结果的生物学意义，已针对目前可用的修复酶识别DNA“损伤”的模型进行了检验。
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