The role of <scp>ATP</scp> in solubilizing <scp>RNA</scp>‐binding protein fused in sarcoma

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  • Hayato Aida
    College of Biological Sciences University of Tsukuba Tsukuba Ibaraki Japan
  • Yasuteru Shigeta
    Center for Computational Sciences University of Tsukuba Tsukuba Ibaraki Japan
  • Ryuhei Harada
    Center for Computational Sciences University of Tsukuba Tsukuba Ibaraki Japan

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<jats:title>Abstract</jats:title><jats:p>Intrinsically disordered protein (IDP) plays an important role in liquid–liquid phase separation (LLPS). RNA‐binding protein fused in sarcoma (FUS) is a well‐studied IDP that induces LLPS since its low‐complexity core region (FUS‐LC‐core) is essential for droplet formation through contacts between FUS‐LC‐cores. Several experimental studies have reported that adenosine triphosphate (ATP) concentrations modulate LLPS‐driven droplet formation through the dissolution of FUS. To elucidate the role of ATP in this dissolution, microsecond‐order all‐atom molecular dynamics (MD) simulations were performed for a crowded system of FUS‐LC‐cores in the presence of multiple ATP molecules. Our analysis revealed that the adenine group of ATP frequently contacted the FUS‐LC‐core, and the phosphoric acid group of ATP was exposed to the external solvent, which promoted both hydration and solubilization of FUS.</jats:p>

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