Coarse-grained molecular dynamics simulation of sulerythrin and LARFH for producing protein nanofibers

Takashi Ozawa, Hironao Yamada, Takeshi Miyakawa, Ryota Morikawa, Sota Yagi, Satoshi Akanuma, Akihiko Yamagishi, Masako Takasu

    研究成果: Conference contribution

    抄録

    Artificial creation of fibers utilizing proteins has been a target of bionanotechnology. Yagi et al. succeeded in designing artificial protein fibers using two types of proteins: LARFH and sulerythrin. Binding interfaces were designed for sulerythrin and LARFH by introducing mutations, and the fibrous structures were confirmed by atomic force microscopy. However, branching was observed in the fibrous structure, possibly because of non-specific interactions between the proteins. In this study, we analyzed the behavior and binding sites of sulerythrin mutants and LARFH mutants using coarse-grained molecular dynamics (MD) simulation. Binding simulations were performed for a system of one sulerythrin and one LARFH, and also of two sulerythrin molecules and four LARFH molecules. These results suggested that glutamic acids originally possessed by sulerythrin contribute to non-specific binding at sites other than the designed interfaces.

    本文言語English
    ホスト出版物のタイトルProceedings of the 2018 8th International Conference on Bioscience, Biochemistry and Bioinformatics, ICBBB 2018
    出版社Association for Computing Machinery
    ページ43-47
    ページ数5
    ISBN(電子版)9781450353410
    DOI
    出版ステータスPublished - 2018 1 18
    イベント8th International Conference on Bioscience, Biochemistry and Bioinformatics, ICBBB 2018 - Tokyo, Japan
    継続期間: 2018 1 182018 1 20

    Other

    Other8th International Conference on Bioscience, Biochemistry and Bioinformatics, ICBBB 2018
    CountryJapan
    CityTokyo
    Period18/1/1818/1/20

    ASJC Scopus subject areas

    • Human-Computer Interaction
    • Computer Networks and Communications
    • Computer Vision and Pattern Recognition
    • Software

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