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- W2043924881 abstract "The ubiquitin associated domain of p62 is a small three-helix bundle of approximately 50 residues that mediates the recognition of polyubiquitin chains and ubiquitylated substrates. The solution structure of a 52 residue construct containing this domain has been characterized using heteronuclear nuclear magnetic resonance (NMR) methods. The resulting ensemble of NMR-derived structures was used in molecular dynamics (MD) simulations to investigate the equilibrium conformation and dynamics of this domain. NOE and (15)N relaxation data have been used to validate the structural ensemble produced by the MD simulations and show a good correlation for residues in regions of secondary structure. A similar approach was taken using an ensemble of structures from the MD simulations to calculate electronic circular dichroism (CD) and IR spectra from first principles with an encouraging correlation with the experimental CD and IR data." @default.
- W2043924881 created "2016-06-24" @default.
- W2043924881 creator A5051687648 @default.
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- W2043924881 creator A5064899254 @default.
- W2043924881 creator A5065080660 @default.
- W2043924881 creator A5089752170 @default.
- W2043924881 date "2008-04-01" @default.
- W2043924881 modified "2023-09-27" @default.
- W2043924881 title "Conformation and dynamics of the three-helix bundle UBA domain of p62 from experiment and simulation" @default.
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- W2043924881 doi "https://doi.org/10.1002/prot.21692" @default.
- W2043924881 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17932931" @default.
- W2043924881 hasPublicationYear "2008" @default.
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