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2019 年度 実施状況報告書

Atomistic mechanism of the oligomerization of p53 protein in DNA scanning

研究課題

研究課題/領域番号 19K23721
研究機関東京工業大学

研究代表者

TRAN PHUOC・DUY  東京工業大学, 生命理工学院, 助教 (50848546)

研究期間 (年度) 2019-08-30 – 2021-03-31
キーワードp53 protein / PaCS-MD / kinetic rate calculation / association simulation / dissociation simulation
研究実績の概要

We have successfully simulated the association and dissociation process of Transactivation domain of p53 protein to its inhibitor MDM2 protein which is in agreement with experimental data. The results further show the atomistic mechanism of the association, in which is consisted of the induced fitting process to find the correct binding pose, dehydration, helical formation process as the final stage to complete the association. In addition, we successfully built the stable full structure of p53 protein in complex with DNA duplex, and the tetrameric core-domain of p53 protein in complex with DNA duplex. We successfully performed dissociation of DNA out of the tetrameric complex.

現在までの達成度 (区分)
現在までの達成度 (区分)

2: おおむね順調に進展している

理由

The research is currently in smooth process as planned.

今後の研究の推進方策

In the future, we will carry out the study of full length p53 protein dissociation out of the p53 protein to yield atomistic mechanism on how the p53 scan the DNA. Moreover, we will carry out the study of p53 hetero-oligomerization with other types of inhibitors affecting the p53 functions.

  • 研究成果

    (2件)

すべて 2020 2019

すべて 雑誌論文 (1件) (うち国際共著 1件、 査読あり 1件、 オープンアクセス 1件) 学会発表 (1件) (うち招待講演 1件)

  • [雑誌論文] Kinetic Selection and Relaxation of the Intrinsically Disordered Region of a Protein upon Binding2020

    • 著者名/発表者名
      Tran Duy Phuoc、Kitao Akio
    • 雑誌名

      Journal of Chemical Theory and Computation

      巻: 16 ページ: 2835~2845

    • DOI

      10.1021/acs.jctc.9b01203

    • 査読あり / オープンアクセス / 国際共著
  • [学会発表] Calculation of binding free energy and kinetic rates with flexible protein docking2019

    • 著者名/発表者名
      Tran Phuoc Duy, Akio Kitao
    • 学会等名
      Annual Meeting of the Biophysical Society of Japan
    • 招待講演

URL: 

公開日: 2021-01-27  

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