FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2734542097> ?p ?o ?g. }

• W2734542097 endingPage "5719" @default.
• W2734542097 startingPage "5711" @default.
• W2734542097 abstract "The interactions between N-terminally acetylated α-synuclein and Cu(II) at several binding sites have been studied with DFT calculations, specifically with the M06 hybrid functional and the ωB97X-D DFT-D functional. In previous experimental studies, Cu(II) was shown to bind several α-synuclein residues, including Met1-Asp2 and His50, forming square planar coordination complexes. Also, it was determined that a low-affinity binding site exists in the C-terminal domain, centered on Asp121. However, in the N-terminally acetylated protein, present in vivo, the Met1 site is blocked. In this work, we simplify the representation of the protein by modeling each experimentally found binding site as a complex between an N-terminally acetylated α-synuclein dipeptide (or several independent residues) and a Cu(II) cation, and compare the results with a number of additional, structurally analogous sites not experimentally found. This way of representing the binding sites, although extremely simple, allows us to reproduce experimental results and to provide a theoretical rationale to explain the preference of Cu(II) for certain sites, as well as explicit geometrical structures for the complexes formed. These results are important to understand the interactions between α-synuclein and Cu(II), one of the factors inducing structural changes in the protein and leading to aggregated forms of it which may play a role in neurodegeneration." @default.
• W2734542097 created "2017-07-21" @default.
• W2734542097 creator A5018054556 @default.
• W2734542097 creator A5069454040 @default.
• W2734542097 creator A5071338079 @default.
• W2734542097 creator A5072968336 @default.
• W2734542097 creator A5088657522 @default.
• W2734542097 date "2017-07-19" @default.
• W2734542097 modified "2023-10-16" @default.
• W2734542097 title "Copper(II) Binding Sites in N-Terminally Acetylated α-Synuclein: A Theoretical Rationalization" @default.
• W2734542097 cites W1966078827 @default.
• W2734542097 cites W1977682751 @default.
• W2734542097 cites W1981021420 @default.
• W2734542097 cites W1993605428 @default.
• W2734542097 cites W2010394776 @default.
• W2734542097 cites W2011215428 @default.
• W2734542097 cites W2013313629 @default.
• W2734542097 cites W2018633688 @default.
• W2734542097 cites W2020359556 @default.
• W2734542097 cites W2026606393 @default.
• W2734542097 cites W2027192412 @default.
• W2734542097 cites W2027783821 @default.
• W2734542097 cites W2033938955 @default.
• W2734542097 cites W2034639490 @default.
• W2734542097 cites W2038767330 @default.
• W2734542097 cites W2039606577 @default.
• W2734542097 cites W2051098162 @default.
• W2734542097 cites W2051469879 @default.
• W2734542097 cites W2057150834 @default.
• W2734542097 cites W2058016077 @default.
• W2734542097 cites W2060495308 @default.
• W2734542097 cites W2067225880 @default.
• W2734542097 cites W2069123478 @default.
• W2734542097 cites W2069702585 @default.
• W2734542097 cites W2082865005 @default.
• W2734542097 cites W2082907050 @default.
• W2734542097 cites W2083685564 @default.
• W2734542097 cites W2108865709 @default.
• W2734542097 cites W2112850441 @default.
• W2734542097 cites W2123913108 @default.
• W2734542097 cites W2125059390 @default.
• W2734542097 cites W2132525235 @default.
• W2734542097 cites W2148225540 @default.
• W2734542097 cites W2150697053 @default.
• W2734542097 cites W2155477793 @default.
• W2734542097 cites W2159982062 @default.
• W2734542097 cites W2161334375 @default.
• W2734542097 cites W2171047055 @default.
• W2734542097 cites W2171268876 @default.
• W2734542097 cites W2233846644 @default.
• W2734542097 cites W2233947609 @default.
• W2734542097 cites W2329201568 @default.
• W2734542097 cites W2331603755 @default.
• W2734542097 cites W2513103244 @default.
• W2734542097 doi "https://doi.org/10.1021/acs.jpca.7b03165" @default.
• W2734542097 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28691818" @default.
• W2734542097 hasPublicationYear "2017" @default.
• W2734542097 type Work @default.
• W2734542097 sameAs 2734542097 @default.
• W2734542097 citedByCount "14" @default.
• W2734542097 countsByYear W27345420972018 @default.
• W2734542097 countsByYear W27345420972019 @default.
• W2734542097 countsByYear W27345420972020 @default.
• W2734542097 countsByYear W27345420972021 @default.
• W2734542097 countsByYear W27345420972023 @default.
• W2734542097 crossrefType "journal-article" @default.
• W2734542097 hasAuthorship W2734542097A5018054556 @default.
• W2734542097 hasAuthorship W2734542097A5069454040 @default.
• W2734542097 hasAuthorship W2734542097A5071338079 @default.
• W2734542097 hasAuthorship W2734542097A5072968336 @default.
• W2734542097 hasAuthorship W2734542097A5088657522 @default.
• W2734542097 hasConcept C104317684 @default.
• W2734542097 hasConcept C107824862 @default.
• W2734542097 hasConcept C115624301 @default.
• W2734542097 hasConcept C119157956 @default.
• W2734542097 hasConcept C12554922 @default.
• W2734542097 hasConcept C185592680 @default.
• W2734542097 hasConcept C2779138802 @default.
• W2734542097 hasConcept C515207424 @default.
• W2734542097 hasConcept C55493867 @default.
• W2734542097 hasConcept C71240020 @default.
• W2734542097 hasConcept C8010536 @default.
• W2734542097 hasConcept C86803240 @default.
• W2734542097 hasConcept C92840921 @default.
• W2734542097 hasConceptScore W2734542097C104317684 @default.
• W2734542097 hasConceptScore W2734542097C107824862 @default.
• W2734542097 hasConceptScore W2734542097C115624301 @default.
• W2734542097 hasConceptScore W2734542097C119157956 @default.
• W2734542097 hasConceptScore W2734542097C12554922 @default.
• W2734542097 hasConceptScore W2734542097C185592680 @default.
• W2734542097 hasConceptScore W2734542097C2779138802 @default.
• W2734542097 hasConceptScore W2734542097C515207424 @default.
• W2734542097 hasConceptScore W2734542097C55493867 @default.
• W2734542097 hasConceptScore W2734542097C71240020 @default.
• W2734542097 hasConceptScore W2734542097C8010536 @default.
• W2734542097 hasConceptScore W2734542097C86803240 @default.
• W2734542097 hasConceptScore W2734542097C92840921 @default.
• W2734542097 hasFunder F4320321837 @default.

• next