Data Scientific Study on Allosteric Regulation of Hemoglobin -The Role of Chloride Ion in Quaternary Structural Change-

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  • TANAKA Miho
    Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan
  • TAKAHASHI Yume
    Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan
  • TAKAMI Kei
    Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan
  • KITAMURA Yukichi
    Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan Department of Applied Chemistry and Biochemical Engineering, Faculty of Engineering, Shizuoka University, 3-5-1 Johoku Naka-ku Hamamatsu 432-8561, Japan
  • NAGAOKA Masataka
    Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan Future Value Creation Research Center, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8601, Japan

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Other Title
  • ヘモグロビンのアロステリック制御に関するデータ科学的研究 ‒四次構造変化に対する塩素イオンの役割‒

Abstract

<p>In this letter, we investigated the contribution of bridging hydrogen bonds (BHB) via Cl− on the T-R transition of human adult hemoglobin (HbA). We applied the time-series clustering method to time-series data of the αβ dimer rotation angle φ and the total number of the BHBs. Compared with the above two results, we have concluded that Cl−-BHBs do not significantly contribute to the structural regulation of HbA.</p>

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