Cooperative Protein Allosteric Transition Mediated by a Fluctuating Transmission Network

Journal of Molecular Biology(2022)

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摘要
•We investigate the time-dependent progression of allostery in a bistable protein.•The microscopic mechanism can be revealed by a correlation analysis.•Allosteric communication is mediated via a network of intra-protein contacts.•Allosteric transitions are cooperative, i.e., all contacts need to change in unison.•The cooperative process is fluctuation-driven as in an Ising-type model.
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关键词
molecular dynamics simulation,correlation analysis of interresidue contacts,allosteric communication,cooperative conformational transition
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