001     878039
005     20240625095127.0
024 7 _ |a 10.3390/ijms21145061
|2 doi
024 7 _ |a 2128/25441
|2 Handle
024 7 _ |a pmid:32709107
|2 pmid
024 7 _ |a WOS:000554212600001
|2 WOS
024 7 _ |a altmetric:89597761
|2 altmetric
037 _ _ |a FZJ-2020-02595
082 _ _ |a 540
100 1 _ |a Palomino, Oscar
|0 P:(DE-Juel1)174273
|b 0
|u fzj
245 _ _ |a Role of Tyr-39 for the Structural Features of α-Synuclein and for the Interaction with a Strong Modulator of Its Amyloid Assembly
260 _ _ |a Basel
|c 2020
|b Molecular Diversity Preservation International
336 7 _ |a article
|2 DRIVER
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1633693570_23527
|2 PUB:(DE-HGF)
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a Journal Article
|0 0
|2 EndNote
520 _ _ |a Recent studies suggest that Tyr-39 might play a critical role for both the normal function and the pathological dysfunction of α-synuclein (αS), an intrinsically disordered protein involved in Parkinson’s disease. We perform here a comparative analysis between the structural features of human αS and its Y39A, Y39F, and Y39L variants. By the combined application of site-directed mutagenesis, biophysical techniques, and enhanced sampling molecular simulations, we show that removing aromatic functionality at position 39 of monomeric αS leads to protein variants populating more compact conformations, conserving its disordered nature and secondary structure propensities. Contrasting with the subtle changes induced by mutations on the protein structure, removing aromaticity at position 39 impacts strongly on the interaction of αS with the potent amyloid inhibitor phthalocyanine tetrasulfonate (PcTS). Our findings further support the role of Tyr-39 in forming essential inter and intramolecular contacts that might have important repercussions for the function and the dysfunction of αS.
536 _ _ |a 511 - Computational Science and Mathematical Methods (POF3-511)
|0 G:(DE-HGF)POF3-511
|c POF3-511
|f POF III
|x 0
536 _ _ |a Exploring the conformational properties of alpha-synuclein variants: an enhanced sampling study (jara0209_20200501)
|0 G:(DE-Juel1)jara0209_20200501
|c jara0209_20200501
|f Exploring the conformational properties of alpha-synuclein variants: an enhanced sampling study
|x 1
588 _ _ |a Dataset connected to CrossRef
700 1 _ |a Buratti, Fiamma A.
|0 P:(DE-HGF)0
|b 1
700 1 _ |a Sacco, Pamela S.
|0 P:(DE-HGF)0
|b 2
700 1 _ |a Rossetti, Giulia
|0 P:(DE-Juel1)145921
|b 3
700 1 _ |a Carloni, Paolo
|0 P:(DE-Juel1)145614
|b 4
|e Corresponding author
700 1 _ |a Fernandez, Claudio O.
|0 P:(DE-HGF)0
|b 5
|e Corresponding author
773 _ _ |a 10.3390/ijms21145061
|g Vol. 21, no. 14, p. 5061 -
|0 PERI:(DE-600)2019364-6
|n 14
|p 5061 -
|t International journal of molecular sciences
|v 21
|y 2020
|x 1422-0067
856 4 _ |u https://juser.fz-juelich.de/record/878039/files/Invoice_MDPI_ijms-837050_1589.23EUR.pdf
856 4 _ |u https://juser.fz-juelich.de/record/878039/files/Invoice_MDPI_ijms-837050_1589.23EUR.pdf?subformat=pdfa
|x pdfa
856 4 _ |u https://juser.fz-juelich.de/record/878039/files/ijms-21-05061-v2.pdf
|y OpenAccess
856 4 _ |u https://juser.fz-juelich.de/record/878039/files/ijms-21-05061-v2.pdf?subformat=pdfa
|x pdfa
|y OpenAccess
909 C O |o oai:juser.fz-juelich.de:878039
|p openaire
|p open_access
|p OpenAPC
|p driver
|p VDB
|p openCost
|p dnbdelivery
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 0
|6 P:(DE-Juel1)174273
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 3
|6 P:(DE-Juel1)145921
910 1 _ |a Forschungszentrum Jülich
|0 I:(DE-588b)5008462-8
|k FZJ
|b 4
|6 P:(DE-Juel1)145614
913 1 _ |a DE-HGF
|b Key Technologies
|l Supercomputing & Big Data
|1 G:(DE-HGF)POF3-510
|0 G:(DE-HGF)POF3-511
|3 G:(DE-HGF)POF3
|2 G:(DE-HGF)POF3-500
|4 G:(DE-HGF)POF
|v Computational Science and Mathematical Methods
|x 0
914 1 _ |y 2020
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0200
|2 StatID
|b SCOPUS
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0160
|2 StatID
|b Essential Science Indicators
|d 2020-01-02
915 _ _ |a Creative Commons Attribution CC BY 4.0
|0 LIC:(DE-HGF)CCBY4
|2 HGFVOC
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0600
|2 StatID
|b Ebsco Academic Search
|d 2020-01-02
915 _ _ |a JCR
|0 StatID:(DE-HGF)0100
|2 StatID
|b INT J MOL SCI : 2018
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0501
|2 StatID
|b DOAJ Seal
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0500
|2 StatID
|b DOAJ
|d 2020-01-02
915 _ _ |a WoS
|0 StatID:(DE-HGF)0111
|2 StatID
|b Science Citation Index Expanded
|d 2020-01-02
915 _ _ |a Fees
|0 StatID:(DE-HGF)0700
|2 StatID
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0150
|2 StatID
|b Web of Science Core Collection
|d 2020-01-02
915 _ _ |a IF < 5
|0 StatID:(DE-HGF)9900
|2 StatID
|d 2020-01-02
915 _ _ |a OpenAccess
|0 StatID:(DE-HGF)0510
|2 StatID
915 _ _ |a Peer Review
|0 StatID:(DE-HGF)0030
|2 StatID
|b ASC
|d 2020-01-02
915 _ _ |a Article Processing Charges
|0 StatID:(DE-HGF)0561
|2 StatID
|f 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1150
|2 StatID
|b Current Contents - Physical, Chemical and Earth Sciences
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0310
|2 StatID
|b NCBI Molecular Biology Database
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0300
|2 StatID
|b Medline
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0320
|2 StatID
|b PubMed Central
|d 2020-01-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0199
|2 StatID
|b Clarivate Analytics Master Journal List
|d 2020-01-02
920 _ _ |l yes
920 1 _ |0 I:(DE-Juel1)INM-11-20170113
|k INM-11
|l Jara-Institut Quantum Information
|x 0
920 1 _ |0 I:(DE-Juel1)JSC-20090406
|k JSC
|l Jülich Supercomputing Center
|x 1
920 1 _ |0 I:(DE-Juel1)INM-9-20140121
|k INM-9
|l Computational Biomedicine
|x 2
920 1 _ |0 I:(DE-Juel1)IAS-5-20120330
|k IAS-5
|l Computational Biomedicine
|x 3
920 1 _ |0 I:(DE-82)080012_20140620
|k JARA-HPC
|l JARA - HPC
|x 4
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a I:(DE-Juel1)INM-11-20170113
980 _ _ |a I:(DE-Juel1)JSC-20090406
980 _ _ |a I:(DE-Juel1)INM-9-20140121
980 _ _ |a I:(DE-Juel1)IAS-5-20120330
980 _ _ |a I:(DE-82)080012_20140620
980 _ _ |a APC
980 _ _ |a UNRESTRICTED
980 1 _ |a APC
980 1 _ |a FullTexts


LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21