Investigation of the functional hot-spot residues of an enzyme by real-time monitoring of the enzymatic reaction using NMR and computational approaches.

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Title: Investigation of the functional hot-spot residues of an enzyme by real-time monitoring of the enzymatic reaction using NMR and computational approaches.
Authors: Sugiki T; Institute for Protein Research, The University of Osaka, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan. sugiki.toshihiko@kitasato-u.ac.jp.; Graduate School of Pharmaceutical Science, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo, 108-8641, Japan. sugiki.toshihiko@kitasato-u.ac.jp., Yoshida T; Graduate School of Pharmaceutical Science, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo, 108-8641, Japan., Tsukamoto M; Graduate School of Informatics, Nagoya University, Furo-cho, Chikusa, Nagoya, Aichi, 464-8601, Japan., Miyanishi K; Graduate School of Engineering Science, The University of Osaka, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531, Japan.; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan., Kagawa A; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan.; WPI Premium Research Institute for Human Metaverse Medicine (WPI-PRIMe), The University of Osaka, 2-2 Yamadaoka, Suita, Osaka, 565-0871, Japan., Miura N; Graduate School of Agriculture, Osaka Metropolitan University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka, 599-8531, Japan., Ura T; Institute for Quantum Life Science, National Institutes for Quantum Science and Technology (QST), 4-9-1 Anagawa, Inage-ku, Chiba, 263-8555, Japan.; Institute of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki, 305-8573, Japan., Fukazawa J; Institute for Protein Research, The University of Osaka, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan.; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan., Hatanaka Y; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan., Murata T; Department of Applied Chemistry, Faculty of Engineering, Aichi Institute of Technology, 1247 Yachigusa, Yakusa, Toyota, Aichi, 470-0392, Japan., Fujiwara T; Institute for Protein Research, The University of Osaka, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan.; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan., Kitagawa M; Graduate School of Engineering Science, The University of Osaka, 1-3 Machikaneyama, Toyonaka, Osaka, 560-8531, Japan.; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan., Morita Y; Department of Applied Chemistry, Faculty of Engineering, Aichi Institute of Technology, 1247 Yachigusa, Yakusa, Toyota, Aichi, 470-0392, Japan., Sakai-Kato K; Graduate School of Pharmaceutical Science, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo, 108-8641, Japan., Takakusagi Y; Institute for Quantum Life Science, National Institutes for Quantum Science and Technology (QST), 4-9-1 Anagawa, Inage-ku, Chiba, 263-8555, Japan.; Center of Quantum Life Science for Structural Therapeutics (cQUEST), Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba, 263-8522, Japan., Tanaka N; Graduate School of Pharmaceutical Science, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo, 108-8641, Japan., Negoro M; Center for Quantum Information and Quantum Biology (QIQB), The University of Osaka, 1-2 Machikaneyama, Toyonaka, Osaka, 560-0043, Japan.; WPI Premium Research Institute for Human Metaverse Medicine (WPI-PRIMe), The University of Osaka, 2-2 Yamadaoka, Suita, Osaka, 565-0871, Japan.; Institute for Quantum Life Science, National Institutes for Quantum Science and Technology (QST), 4-9-1 Anagawa, Inage-ku, Chiba, 263-8555, Japan.
Source: Scientific reports [Sci Rep] 2026 Jan 13; Vol. 16 (1), pp. 5896. Date of Electronic Publication: 2026 Jan 13.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE; In Process
Database: MEDLINE Ultimate
Description
ISSN:2045-2322
DOI:10.1038/s41598-026-35354-3