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Refinement of protein structure prediction by using simulation and database analyses

Research Project

Project/Area Number 16K16142
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Life / Health / Medical informatics
Research InstitutionTohoku University

Principal Investigator

Shirota Matsuyuki  東北大学, 医学系研究科, 助教 (00549462)

Project Period (FY) 2016-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2016: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords蛋白質構造 / 構造予測 / RNA-seq / 蛋白質立体構造 / アミノ酸配列 / 水素結合 / 二次構造 / シミュレーション / リファインメント / データベース解析 / 分子動力学シミュレーション / 経験的評価関数 / 立体構造予測
Outline of Final Research Achievements

Improving the quality of protein models generated by protein structure prediction is a challenging task that can extend the applicability of the predicted models to function prediction and drug design. In this study, known protein structures are utilized for refinement of protein structure models by comprehensively processing all the available structures. The information from known structures are aligned to the human protein sequences by sequence alignment for improving the structure models of human proteins. As applications of the model refinement methods, two genomic analyses were performed. First, amino acid insertions of human protein structures by splicing-in microexons were analyzed by using public RNA-seq data. Second, amino acid variations within the transmembrane domains of G-protein coupled receptors were summarized. The results of these analyses provide g resource for appying model refinement methods.

Report

(3 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • Research Products

    (7 results)

All 2017 2016

All Presentation (7 results) (of which Int'l Joint Research: 2 results,  Invited: 1 results)

  • [Presentation] Structural and functional analysis of alternative microexons of proteins observed in RNA-seq studies.2017

    • Author(s)
      Matsuyuki Shirota
    • Organizer
      ISMB/ECCB2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] NGSで見つかる選択的マイクロエクソンとタンパク質構造・機能への影響2017

    • Author(s)
      城田松之
    • Organizer
      NGS現場の回第五回研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Population genomics and structural bioinformatics: an analysis of missense variants in a Japanese cohort based on protein structures2017

    • Author(s)
      Matsuyuki Shirota
    • Organizer
      2nd Karolinska-Tohoku Joint Symposium on Medical Sciences
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Annotation of missense genomic variations based on various protein 3D structures2017

    • Author(s)
      Matsuyuki Shirota
    • Organizer
      日本生物物理学会第55回年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Regulation and structure-function relationship of alternative microexons in proteins2017

    • Author(s)
      Matsuyuki Shirota
    • Organizer
      第17回日本蛋白質科学会年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Cold adaptation of organisms and the evolution of protein sequences2016

    • Author(s)
      城田松之
    • Organizer
      第54回日本生物物理学会
    • Place of Presentation
      つくば国際会議場(つくば市)
    • Year and Date
      2016-11-25
    • Related Report
      2016 Research-status Report
  • [Presentation] Discrepancies between human reference genome, mRNA and protein sequences and their relation to single nucleotide variants2016

    • Author(s)
      Matsuyuki Shirota and Kengo Kinoshita
    • Organizer
      第5回生命医薬情報学連合大会
    • Place of Presentation
      東京国際交流館プラザ平成(江東区)
    • Year and Date
      2016-09-29
    • Related Report
      2016 Research-status Report

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Published: 2016-04-21   Modified: 2019-03-29  

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