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首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Effect of Flanking Residues on CA and AA Dinucleotides: Some Rationale.
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Effect of Flanking Residues on CA and AA Dinucleotides: Some Rationale.

机译：侧翼残基对CA和AA二核苷酸的影响：一些理由。

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摘要

Effect of flanking base pairs on CA and AA dinluceotide step- geometry has been studied using molecular dynamics method. Sixteen dodecameric sequences are constructed for each doublet with all possible bases at their 5 and 3 positions along with their complementary sequences. Structural parameter, formation of Extra Watson Crick bifurcated hydrogen bonds along or across the strands and effect of sodium ions are studied for these sequences. It is found that geometry of CA doublet step is perturbed by the neighboring base pairs, which might be due to inherent flexibility of the step. Flexible character of CA step is reflected in its low bifurcated hydrogen bond formation capability and lower preference of sodium ions to enter in minor or major grooves. AA step on the other hand is quite rigid according to different structural parameters and respond much less to environmental changes due to formation of strong Extra Watson- Crick hydrogen bonds.
机译：已使用分子动力学方法研究了侧翼碱基对对CA和AA二糖苷阶跃几何学的影响。为每个双峰构造十六个十二聚体序列，所有可能的碱基在其5和3位以及它们的互补序列。对于这些序列，研究了结构参数，沿链或跨链的额外Watson Crick分叉氢键的形成以及钠离子的影响。发现CA doublet步骤的几何形状受到相邻碱基对的干扰，这可能是由于该步骤固有的灵活性。 CA步骤的柔性特征体现在其低的分叉氢键形成能力和较低的钠离子进入小槽或大槽中的偏好。另一方面，根据不同的结构参数，AA步非常刚性，由于形成强的Extra Watson-Crick氢键，对环境变化的响应要小得多。

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