通过构象分析揭示的B-DNA的扭转灵活性。
Torsional flexibility of B-DNA as revealed by conformational analysis.
作者信息
Zhurkin V B, Lysov Y P, Florentiev V L, Ivanov V I
出版信息
Nucleic Acids Res. 1982 Mar 11;10(5):1811-30. doi: 10.1093/nar/10.5.1811.
Abstract
The thermal fluctuations of a regular double helix belonging to the B-family were studied by means of atom-atomic potentials method. The winding angle fluctuation was found to be 2.4 degrees for poly(dA):poly(dT) and 3.0 degrees for poly(dG):poly(dC). The reasonable agreement of these estimations with those obtained experimentally reveals the essential role of the small-amplitude torsional vibrations of atoms in the mechanism of the double helix flexibility. The calculated equilibrium winding angle, tau 0, essentially depends on the degree of neutralization of phosphate groups, being about 35.5 degrees for the full neutralization. The deoxyribose pucker is closely related to the tau angle: while tau proceeds from 30 degrees to 45 degrees the pseudorotation phase angle, P, increases from 126 degrees to 164 degrees. Fluctuations of the angles TL and TW, which specify inclination of the bases to the helix axis, were evaluated to be 5 degrees-10 degrees. Possible correlation between conformational changes in the adjacent nucleotides is discussed.
摘要
利用原子 - 原子势方法研究了属于B族的规则双螺旋的热涨落。发现聚（dA）：聚（dT）的缠绕角涨落为2.4度，聚（dG）：聚（dC）的为3.0度。这些估计值与实验获得的值合理吻合，揭示了原子的小振幅扭转振动在双螺旋柔韧性机制中的重要作用。计算得到的平衡缠绕角τ₀基本上取决于磷酸基团的中和程度，完全中和时约为35.5度。脱氧核糖的皱折与τ角密切相关：当τ从30度变化到45度时，假旋转相角P从126度增加到164度。指定碱基相对于螺旋轴倾斜度的角度TL和TW的涨落估计为5度 - 10度。讨论了相邻核苷酸构象变化之间可能的相关性。
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