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タイトル: p53 dynamics upon response element recognition explored by molecular simulations
著者: Terakawa, Tsuyoshi  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-0151-1123 (unconfirmed)
Takada, Shoji  kyouindb  KAKEN_id
著者名の別形: 高田, 彰二
発行日: 24-Nov-2015
出版者: Nature Publishing Group
誌名: Scientific Reports
巻: 5
論文番号: 17107
抄録: p53 is a representative transcription factor that activates multiple target genes. To realize stimulus-dependent specificities, p53 has to recognize targets with structural variety, of which molecular mechanisms are largely unknown. Here, we conducted a series of long-time scale (totally more than 100-ms) coarse-grained molecular dynamics simulations, uncovering structure and dynamics of full-length p53 tetramer that recognizes its response element (RE). We obtained structures of a full-length p53 tetramer that binds to the RE, which is strikingly different from the structure of p53 at search. These structures are not only consistent with previous low-resolution or partial structural information, but also give access to previously unreachable detail, such as the preferential distribution of intrinsically disordered regions, the contacts between core domains, the DNA bending, and the connectivity of linker regions. We also explored how the RE variation affects the structure of the p53-RE complex. Further analysis of simulation trajectories revealed how p53 finds out the RE and how post-translational modifications affect the search mechanism.
著作権等: This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
URI: http://hdl.handle.net/2433/212479
DOI(出版社版): 10.1038/srep17107
PubMed ID: 26596470
出現コレクション:学術雑誌掲載論文等

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