Using Rosetta for RNA homology modeling.

Using Rosetta for RNA homology modeling.
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DOI:
10.1016/bs.mie.2019.05.026
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发表时间:
2019
影响因子:
--
通讯作者:
Das R
Das R
中科院分区:
生物学4区
文献类型:
--
作者:
Watkins AM;Rangan R;Das R

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RNA分子的三维结构为理解它们的功能提供了丰富的、往往是关键的信息,包括它们如何识别小分子和蛋白质伙伴。RNA 3D结构的计算建模正变得越来越准确,特别是随着越来越多的模板结构已经通过实验解决,以及利用该数据库的序列比对和3D建模工具的开发。对于最近的几个RNA难题盲建模挑战,我们已经成功地识别了有用的模板结构,并通过在Rosetta软件套件中开发的同源建模工具实现了准确的结构预测。我们在这里描述了我们的半自动方法,并通过两个说明性的例子:根据模板鸟嘌呤核糖开关结构建模的腺嘌呤核糖开关适配子,以及根据模板SAM I核糖开关结构建模的SAM I/IV核糖开关适配子。
The three-dimensional structures of RNA molecules provide rich and often critical information for understanding their functions, including how they recognize small molecule and protein partners. Computational modeling of RNA 3D structure is becoming increasingly accurate, particularly with the availability of growing numbers of template structures already solved experimentally and the development of sequence alignment and 3D modeling tools to take advantage of this database. For several recent “RNA puzzle” blind modeling challenges, we have successfully identified useful template structures and achieved accurate structure predictions through homology modeling tools developed in the Rosetta software suite. We describe our semi-automated methodology here and walk through two illustrative examples: an adenine riboswitch aptamer, modeled from a template guanine riboswitch structure, and a SAM I/IV riboswitch aptamer, modeled from a template SAM I riboswitch structure.
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