Classifying kinase conformations using a machine learning approach

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• 作者：Daniel Ian McSkimming ; Khaled Rasheed ; Natarajan Kannan
• 关键词：Kinase conformation ; Machine learning ; Classifier ; Activation segment
• 刊名：BMC Bioinformatics
• 出版年：2017
• 出版时间：December 2017
• 年：2017
• 卷：18
• 期：1
• 全文大小：4254KB
• 刊物主题：Bioinformatics; Microarrays; Computational Biology/Bioinformatics; Computer Appl. in Life Sciences; Algorithms;
• 出版者：BioMed Central
• ISSN：1471-2105
• 卷排序：18

文摘

BackgroundSignaling proteins such as protein kinases adopt a diverse array of conformations to respond to regulatory signals in signaling pathways. Perhaps the most fundamental conformational change of a kinase is the transition between active and inactive states, and defining the conformational features associated with kinase activation is critical for selectively targeting abnormally regulated kinases in diseases. While manual examination of crystal structures have led to the identification of key structural features associated with kinase activation, the large number of kinase crystal structures (~3,500) and extensive conformational diversity displayed by the protein kinase superfamily poses unique challenges in fully defining the conformational features associated with kinase activation. Although some computational approaches have been proposed, they are typically based on a small subset of crystal structures using measurements biased towards the active site geometry.