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首页> 外文期刊>The protein journal >Network Connectivity, Centrality and Fragmentation in the Greek-Key Protein Topology
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Network Connectivity, Centrality and Fragmentation in the Greek-Key Protein Topology

机译：希腊关键蛋白质拓扑中的网络连接，中心性和碎片

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摘要

Understanding and computationally predicting the protein folding process remains one of the most challenging scientific problems and has uniquely garnered the interdisciplinary efforts of researchers from both the biological, chemical, physical and computational disciplines. Previous studies have demonstrated the importance of long-range interactions in guiding the native structure. However, predicting how the native long-range interaction network forms to generate a specific topology from among all other conformations remains unresolved. The present research study conducts an exploratory study to identify amino acids and long-range interactions that have the potential to play a key role in building and maintaining the protein topology. Towards this end, the application of network science is utilized and developed to analyze the structures of a group of proteins that share a common Greek-key topology but differ in sequence, secondary structure and function. We investigate the idea that the residues with high betweeness centrality score are potentially significant in maintaining the protein network and in governing the Greek-key topology. This hypothesis is tested by two different computational methods: through a fragmentation test and by the analysis of diameter impacts. In summary, we find a subset of selected residues in similar geographical positions in all model proteins, which demonstrates the role of these specific residues and regions in governing the Greek-key topology from a network perspective.
机译：理解和计算预测蛋白质折叠过程仍然是最具挑战性的科学问题之一，并独特地获得了来自生物、化学、物理和计算学科的研究人员的跨学科努力。以前的研究已经证明了长程相互作用在指导原生结构中的重要性。然而，预测本地远程交互网络是如何形成的，从而从所有其他构象中生成特定的拓扑结构仍然没有解决。本研究进行了一项探索性研究，以确定在构建和维持蛋白质拓扑结构中可能起关键作用的氨基酸和长程相互作用。为此，网络科学的应用被用来分析一组蛋白质的结构，这些蛋白质具有相同的希腊键拓扑结构，但在序列、二级结构和功能上有所不同。我们研究了中间性中心性得分较高的残基在维持蛋白质网络和控制希腊键拓扑结构方面具有潜在意义的想法。这一假设通过两种不同的计算方法进行验证：通过碎片测试和直径影响分析。综上所述，我们在所有模型蛋白质中都发现了一个具有相似地理位置的选定残基子集，这从网络角度证明了这些特定残基和区域在控制希腊键拓扑结构中的作用。

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