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Comparison and superposition of low-resolution density maps and atomic models using Gaussian mixture model

Research Project

Project/Area Number 26440078
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Biophysics
Research InstitutionOsaka University

Principal Investigator

KAWABATA TAKESHI  大阪大学, たんぱく質研究所, 寄附研究部門准教授 (60343274)

Co-Investigator(Renkei-kenkyūsha) SUZUKI HIROFUMI  大阪大学, 蛋白質研究所, 特任助教 (60418572)
Project Period (FY) 2014-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2014: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords構造・機能予測 / 電子顕微鏡 / 単粒子解析 / 密度マップ / 混合正規分布モデル / 形状比較 / EMアルゴリズム
Outline of Final Research Achievements

3D density maps by electron microscopy have important information about biomolecular structures. To make a full use of these maps, we developed a WEB server “Omokage search” to search the global shape similarity of biological macromolecules in databases for 3D density maps and atomic models. The server searches using the distance-based profiles from the 3D points of the maps and models. It also performs 3D superimpositions using the Gaussian mixture model (GMM), for approximating shapes of the maps and the models. The new algorithm “Gaussian-input GMM” was developed for converting into GMMs more robustly and rapidly. We started to develop the methods for multiple subunit fitting and alpha-helix detection.

Report

(4 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • Research Products

    (21 results)

All 2017 2016 2015 2014 Other

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 2 results,  Acknowledgement Compliant: 2 results) Presentation (10 results) (of which Int'l Joint Research: 1 results) Book (1 results) Remarks (8 results)

  • [Journal Article] Protein Data Bank Japan (PDBj): updated user interfaces, resource description framework, analysis tools for large structures2017

    • Author(s)
      Akira R. Kinjo, Gert-Jan Bekker,Hirofumi Suzuki,Yuko Tsuchiya,Takeshi Kawabata,Yasuyo Ikegawa, Haruki Nakamura
    • Journal Title

      Nucleic Acids Research

      Volume: 45(D1) Issue: D1 Pages: D282-D288

    • DOI

      10.1093/nar/gkw962

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Omokage search: shape similarity search service for biomolecular structures in both the PDB and EMDB.2016

    • Author(s)
      Hirofumi Suzuki, Takeshi Kawabata, Haruki Nakamura
    • Journal Title

      Bioinformatics

      Volume: 32 Issue: 4 Pages: 619-620

    • DOI

      10.1093/bioinformatics/btv614

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Presentation] 電顕3次元密度マップからαへリックスを認識する混合正規分布モデルの開発2016

    • Author(s)
      川端 猛、中村春木
    • Organizer
      第54回日本生物物理学会年会
    • Place of Presentation
      つくば国際会議場(茨城県、つくば市)
    • Year and Date
      2016-11-25
    • Related Report
      2016 Annual Research Report
  • [Presentation] EMDB, PDB, SASBDB中の多階層構造データを対象としたウェブサービス2016

    • Author(s)
      鈴木博文、Gert-Jan Bekker, 川端 猛、中村春木
    • Organizer
      第54回日本生物物理学会年会
    • Place of Presentation
      つくば国際会議場(茨城県、つくば市)
    • Year and Date
      2016-11-25
    • Related Report
      2016 Annual Research Report
  • [Presentation] Omokage検索:PDB原子モデル・クライオ電子顕微鏡マップデータ・SAXSダミー原子モデルなどを対象とした形状類似検索2016

    • Author(s)
      鈴木博文、 川端 猛、中村春木
    • Organizer
      第16回日本蛋白質科学会年会
    • Place of Presentation
      福岡国際会議場(福岡県、福岡市)
    • Year and Date
      2016-06-07
    • Related Report
      2016 Annual Research Report
  • [Presentation] Omokage search and gmfit : shape similarity search and superposition among models and maps2016

    • Author(s)
      Takeshi Kawabata, Hirofumi Suzuki, Haruki Nakamura
    • Organizer
      60-th annual meeting of Biophysical Society
    • Place of Presentation
      ロサンゼルス(アメリカ合衆国)
    • Year and Date
      2016-02-27
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Omokage search and gmfit : global shape similarity search and 3D-superposition among atomic models and density maps2015

    • Author(s)
      川端 猛, 鈴木博文, 中村春木
    • Organizer
      生命医薬情報学連合大会2015年大会
    • Place of Presentation
      京都大学 宇治キャンパス 黄檗プラザ(京都府、宇治市)
    • Year and Date
      2015-10-29
    • Related Report
      2015 Research-status Report
  • [Presentation] EMDBとPDBデータの形状類似検索:Omokage検索2015

    • Author(s)
      鈴木博文,川端 猛, 中村春木
    • Organizer
      第53回日本生物物理学会
    • Place of Presentation
      金沢大学 角間キャンパス(石川県、金沢市)
    • Year and Date
      2015-09-13
    • Related Report
      2015 Research-status Report
  • [Presentation] 低解像度密度マップへの複数のサブユニットのあてはめ計算 -実験情報による拘束の利用-2015

    • Author(s)
      川端 猛, 鈴木博文, 中村春木
    • Organizer
      第53回日本生物物理学会
    • Place of Presentation
      金沢大学 角間キャンパス(石川県、金沢市)
    • Year and Date
      2015-09-13
    • Related Report
      2015 Research-status Report
  • [Presentation] Shape similarity searh of EMDB and PDB: Omokage search2015

    • Author(s)
      鈴木博文,川端 猛, 中村春木
    • Organizer
      第15回日本蛋白質科学会年会
    • Place of Presentation
      あわぎんホール(徳島県、徳島市)
    • Year and Date
      2015-06-24
    • Related Report
      2015 Research-status Report
  • [Presentation] セグメンテーション&フィッティング ‐低解像度密度マップへの複数のサブユニットのあてはめ計算法‐2014

    • Author(s)
      川端 猛、鈴木博文、中村春木.
    • Organizer
      日本生物物理学会第52回年会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Research-status Report
  • [Presentation] 構造データベース中の3次元電子顕微鏡データの形状比較とフィッティング2014

    • Author(s)
      鈴木博文、川端猛、中村春木
    • Organizer
      日本生物物理学会第52回年会
    • Place of Presentation
      札幌コンベンションセンター
    • Year and Date
      2014-09-25 – 2014-09-27
    • Related Report
      2014 Research-status Report
  • [Book] 見てわかる構造生命科学 -生命科学研究へのタンパク質構造の利用-2014

    • Author(s)
      中村春木、大島勘二、緒方一博、笠原浩太、神谷成敏、川端 猛、寒川剛、椎名政昭、鈴木博文、鷹野 優
    • Total Pages
      320
    • Publisher
      化学同人
    • Related Report
      2014 Research-status Report
  • [Remarks] WEBサービス「Omokage検索 -生体超分子の形状類似性検索-」

    • URL

      https://pdbj.org/emnavi/omo-search.php

    • Related Report
      2016 Annual Research Report
  • [Remarks] WEBサービス「Pairwise gmfit」

    • URL

      https://pdbj.org/gmfit/

    • Related Report
      2016 Annual Research Report
  • [Remarks] gmfitのソースコードの配布サイト

    • URL

      http://strcomp.protein.osaka-u.ac.jp/gmfit/

    • Related Report
      2016 Annual Research Report
  • [Remarks] Omokage検索 -生体超分子の形状類似性検索-

    • URL

      http://pdbj.org/emnavi/omo-search.php?lang=ja

    • Related Report
      2015 Research-status Report
  • [Remarks] Pairwise gmfit : 密度マップと原子モデルの1対1の重ね合わせ計算

    • URL

      http://pdbj.org/gmfit/pairgmfit.html

    • Related Report
      2015 Research-status Report
  • [Remarks] プログラムgmfitのソースコードの配布

    • URL

      http://strcomp.protein.osaka-u.ac.jp/gmfit/

    • Related Report
      2015 Research-status Report
  • [Remarks] Omokage検索 (生体超分子の形状類似性検索)

    • URL

      http://pdbj.org/emnavi/omo-search.php?lang=ja

    • Related Report
      2014 Research-status Report
  • [Remarks] Pairwise gmfit (二つの原子モデル・密度マップの重ね合わせ計算)

    • URL

      http://pdbj.org/gmfit/pairgmfit.html

    • Related Report
      2014 Research-status Report

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Published: 2014-04-04   Modified: 2018-03-22  

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