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首页> 外文期刊>Journal of Bioinformatics and Computational Biology >PROTEIN CLASSIFICATION USING COMPARATIVE MOLECULAR INTERACTION PROFILE ANALYSIS SYSTEM
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PROTEIN CLASSIFICATION USING COMPARATIVE MOLECULAR INTERACTION PROFILE ANALYSIS SYSTEM

机译:使用对比分子相互作用分析系统的蛋白质分类

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摘要

We recently introduced a new molecular description factor, interaction profile Factor (IPF) that is useful for evaluating molecular interactions. IPF is a data set of interaction energies calculated by the Comparative Molecular Interaction Profile Analysis system (CoMIPA). CoMIPA utilizes AutoDock 3.0 docking program, and the system has shown to be a powerful tool in clustering the interacting properties between small molecules and proteins. In this report, we describe the application of CoMIPA for protein clustering. A sample set of 15 proteins that share less than 20% homology and have no common functional motifs in primary structure were chosen. Using CoMIPA, we were able to cluster proteins that bound to the same small molecule. Other structural homology-based clustering programs such as PSI-BLAST or PFAM were unable to achieve the same classification. The results are striking because it is difficult to find any common features in the active sites of these proteins that share the same ligand. CoMIPA adds new dimensions for protein classification and has the potential to be a helpful tool in predicting and analyzing molecular interactions.
机译:我们最近介绍了一种用于评估分子相互作用的新分子描述因子,相互作用谱因子(IPF)。 IPF是由比较分子相互作用分析系统(Comipa)计算的交互能量的数据集。 Comipa利用Autodock 3.0对接程序,系统已显示是在小分子和蛋白质之间聚类交互性质的强大工具。在本报告中,我们描述了Comipa进行蛋白质聚类的应用。选择的15种蛋白质的样品组,其具有少于20%的同源性,并且在主要结构中没有常用的功能基质。使用Comipa,我们能够纳入与相同的小分子结合的蛋白质。基于其他结构性同源性的聚类程序,如Psi-Blast或PFAM无法达到相同的分类。结果醒目,因为难以在这些蛋白质的活性位点中找到共享相同配体的任何共同特征。 Comipa为蛋白质分类增加了新尺寸,并且有可能成为预测和分析分子相互作用的有用工具。

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  • 作者单位

    KLIMERS (K-laboratories for Intelligent Medical Remote Services Enkaku Iryou-laboratories) Co. Ltd. 2266-22 Anagahora Shimoshidami Moriyama-ku Nagoya 463-0003 Japan;

    Materials Science Laboratory NTT Basic Research Laboratories Nippon Telegraph and Telephone Corporation 3-1 Morinosato Wakamiya Atsugi-shi Kanagawa 243-0198 Japan;

    KLIMERS (K-laboratories for Intelligent Medical Remote Services Enkaku Iryou-laboratories) Co. Ltd. 2266-22 Anagahora Shimoshidami Moriyama-ku Nagoya 463-0003 Japan;

    KLIMERS (K-laboratories for Intelligent Medical Remote Services Enkaku Iryou-laboratories) Co. Ltd. 2266-22 Anagahora Shimoshidami Moriyama-ku Nagoya 463-0003 Japan;

    KLIMERS (K-laboratories for Intelligent Medical Remote Services Enkaku Iryou-laboratories) Co. Ltd. 2266-22 Anagahora Shimoshidami Moriyama-ku Nagoya 463-0003 Japan;

    Division of Bioscience and Biotechnology Department of Ecological Engineering Toyohashi University of Technology 1-1 Hibarigaoka Tempaku-cho Toyohashi 441-8680 Japan;

    Department of Knowledge-based Information Engineering Toyohashi University of Technology 1-1 Hibarigaoka Tempaku-cho Toyohashi 441-8680 Japan;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 细胞生物学;
  • 关键词

    CoMIPA; interaction profile; protein classification;

    机译:Comipa;相互作用谱;蛋白质分类;

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