从寡聚体蛋白质的界面区域发现功能基序Discovery of Functional Motifs from the Interface Region of Oligomeric Proteins using Frequent Subgraph Mining Method |
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课程网址: | https://videolectures.net/videos/kdd2016_hasan_interface_region |
主讲教师: | Mohammad Al Hasan |
开课单位: | KDD 2016研讨会 |
开课时间: | 2025-02-04 |
课程语种: | 英语 |
中文简介: | 研究蛋白质复合物的界面区域有助于了解其动力学和功能。现有的研究通过残基的组合、界面残基的几何形状或直接对齐界面区域来研究蛋白质界面区域。很少有作品使用图形作为界面区域建模的工具。在这项工作中,我们使用界面残基从一组蛋白质结构形成网络,然后找到这些网络中频繁出现的子图。为了找到这样的子图,我们使用了一种可扩展的频繁子图挖掘算法,该算法可以挖掘特定大小的频繁子网络模式。然后,我们从这些挖掘的子图中发现了给定蛋白质界面区域的功能基序。在我们的实验中,我们使用了来自两个二聚体蛋白复合物的PDB结构:HIV-1蛋白酶(329个结构)和磷酸丙糖异构酶(TIM)(86个结构)。所提出的基于频繁子图的方法在329个HIV-1蛋白酶结构中的323个中发现了表示在结构基部形成的二聚化锁的图。同样,对于86个TIM结构,该方法在50个结构中发现了二聚化锁的形成。我们的方法通过图形考虑界面残基的空间定位来捕捉二聚体界面的锁定机制。 |
课程简介: | Studying the interface region of a protein complex pavesthe way for understanding its dynamics and functionalities.Existing works study a protein interface region by the com-position of its residues, by the geometry of the interfaceresidues, or by directly aligning interface regions. Very fewworks use graphs as the tool for modeling the interface re-gions. In this work, we use interface residues for formingnetworks from a set of protein structures, and then find sub-graphs that are frequent in those networks. For finding suchsubgraphs, we use a scalable frequent subgraph mining al-gorithm, which can mine frequent sub-network patterns ofa specific size. We then discover the functional motif alongthe interface region of a given protein from those mined sub-graphs. In our experiment, we use PDB structures from twodimeric protein complexes: HIV-1 protease (329 structures)and triosephosphate isomerase (TIM) (86 structures). Theproposed frequent subgraph based approach discovers thegraphs representing the dimerization lock which is formed atthe base of the structure, in 323 of the 329 HIV-1 proteasestructures. Similarly, for 86 TIM structures, the approachdiscovers the dimerization lock formation in 50 structures.Our method captures the locking mechanism at the dimericinterface by taking into account the spatial positioning ofthe interfacial residues through graphs. |
关 键 词: | 频繁子图; 挖掘方法; 功能基序 |
课程来源: | 视频讲座网 |
数据采集: | 2025-03-16:liyq |
最后编审: | 2025-03-16:liyq |
阅读次数: | 5 |