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001006781 1001_ $$0P:(DE-Juel1)188441$$aDorn, Anton$$b0
001006781 245__ $$aImpact of Phosphorylation on alpha-Synuclein Structural Determinants
001006781 260__ $$aCold Spring Harbor$$bCold Spring Harbor Laboratory, NY$$c2023
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001006781 520__ $$aSerine 129 and, to a lesser extent, serine 87 can appear phosphorylated in the intrinsically disordered protein human α-synuclein (AS), a key player in Parkinson’s disease, where it accumulates in proteinaceous aggregates. Intriguingly, both phosphorylations are located in a highly negative potential region of the protein. Here we used molecular simulation to provide insight in the selective phosphorylation by polo-like kinase 2 (PLK2), in both monomeric and fibrillar forms of AS. We suggest that phosphorylation does not impact on the structural determinants of the physiological AS conformational ensemble, as the phosphate group is mostly solvated. Our findings are consistent with experimental data on the non-acetylated, non-physiological form of the protein. The phosphate groups of pAS may be solvated also in the aggregated form.
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001006781 536__ $$0G:(DE-Juel1)HDS-LEE-20190612$$aHDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612)$$cHDS-LEE-20190612$$x1
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001006781 7001_ $$0P:(DE-Juel1)184777$$ade Bruyn, Emile$$b1
001006781 7001_ $$0P:(DE-Juel1)145921$$aRossetti, Giulia$$b2$$eCorresponding author
001006781 7001_ $$00000-0003-0454-7735$$aFernandez, Claudio$$b3
001006781 7001_ $$00000-0003-1679-1727$$aOuteiro, Tiago F.$$b4
001006781 7001_ $$0P:(DE-Juel1)171786$$aSchulz, Jörg B.$$b5
001006781 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b6
001006781 773__ $$0PERI:(DE-600)2766415-6$$a10.1101/2023.03.10.531864$$tbioRxiv beta$$y2023
001006781 8564_ $$uhttps://www.biorxiv.org/content/10.1101/2023.03.10.531864v2
001006781 8564_ $$uhttps://juser.fz-juelich.de/record/1006781/files/2023.03.10.531864.full.pdf$$yOpenAccess
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001006781 9141_ $$y2023
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001006781 9201_ $$0I:(DE-Juel1)IAS-5-20120330$$kIAS-5$$lComputational Biomedicine$$x1
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