• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of Molecular Biology >Importance of accurate DNA structures in solution: the Jun-Fos model.
【24h】

Importance of accurate DNA structures in solution: the Jun-Fos model.

机译：溶液中精确的DNA结构的重要性：Jun-Fos模型。

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Understanding the recognition of DNA sequences by proteins requires an accurate description of the structural dynamics of free DNA, especially regarding indirect readout. This involves subtle sequence-dependent effects that are difficult to characterize in solution. To progress in this area, we applied NMR and extensive simulations to a DNA sequence relevant to the Jun-Fos system. The backbone and base behaviors demonstrate that unrestrained simulations with major force fields (Parm98, Parmbsc0, and CHARMM27) are not reliable enough for in silico predictions of detailed DNA structures. More realistic structures required molecular dynamics simulations supplemented by NMR restraints. A new methodological element involved restraints inferred from the phosphate chemical shifts and from the phosphate dynamics. This provided a detailed and dynamic view of the intrinsic properties of the free DNA sequence that can be related to its recognition, by comparison with a relevant DNA-protein complex. We show how toexploit the relationship between phosphate motions and helicoidal descriptors for structure determination toward an accurate description of DNA structures and dynamics in solution.
机译：理解蛋白质对DNA序列的识别需要准确描述游离DNA的结构动力学，尤其是在间接读出方面。这涉及细微的序列依赖性效应，难以在溶液中表征。为了在该领域取得进展，我们对与Jun-Fos系统相关的DNA序列应用了NMR和广泛的模拟。主干和基础行为表明，使用主力场（Parm98，Parmbsc0和CHARMM27）进行的不受约束的模拟对于计算机模拟详细的DNA结构而言不够可靠。更现实的结构需要通过NMR约束来补充分子动力学模拟。一种新的方法论元素涉及到从磷酸盐化学位移和磷酸盐动力学推断出的限制条件。通过与相关的DNA-蛋白质复合物进行比较，这提供了与游离DNA序列识别有关的详细的动态视图。我们展示了如何利用磷酸盐运动与螺旋形描述符之间的关系来确定结构，以准确描述DNA结构和溶液中的动力学。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号