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• W2097645142 abstract "HDL removes cell cholesterol and protects against atherosclerosis. ApoA-I provides a flexible structural scaffold and an important functional ligand on the HDL surface. We propose structural models for apoA-I(Milano) (R173C) and apoA-I(Paris) (R151C) mutants that show high cardioprotection despite low HDL levels. Previous studies established that two apoA-I molecules encircle HDL in an antiparallel, helical double-belt conformation. Recently, we solved the atomic structure of lipid-free Δ(185-243)apoA-I and proposed a conformational ensemble for apoA-I(WT) on HDL. Here we modify this ensemble to understand how intermolecular disulfides involving C173 or C151 influence protein conformation. The double-belt conformations are modified by belt rotation, main-chain unhinging around Gly, and Pro-induced helical bending, and they are verified by comparison with previous experimental studies and by molecular dynamics simulations of apoA-I(Milano) homodimer. In our models, the molecular termini repack on various-sized HDL, while packing around helix-5 in apoA-I(WT), helix-6 in apoA-I(Paris), or helix-7 in apoA-I(Milano) homodimer is largely conserved. We propose how the disulfide-induced constraints alter the protein conformation and facilitate dissociation of the C-terminal segment from HDL to recruit additional lipid. Our models unify previous studies of apoA-I(Milano) and demonstrate how the mutational effects propagate to the molecular termini, altering their conformations, dynamics, and function." @default.
• W2097645142 created "2016-06-24" @default.
• W2097645142 creator A5024374500 @default.
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• W2097645142 creator A5034695786 @default.
• W2097645142 creator A5055416469 @default.
• W2097645142 creator A5075736815 @default.
• W2097645142 date "2013-12-01" @default.
• W2097645142 modified "2023-10-16" @default.
• W2097645142 title "Structural basis for distinct functions of the naturally occurring Cys mutants of human apolipoprotein A-I" @default.
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• W2097645142 doi "https://doi.org/10.1194/jlr.r037911" @default.
• W2097645142 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3826673" @default.
• W2097645142 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24038317" @default.
• W2097645142 hasPublicationYear "2013" @default.
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