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GPCRsignal: webserver for analysis of the interface between G-protein–coupled receptors and their effector proteins by dynamics and mutations

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cris.lastimport.scopus2024-02-12T20:53:59Z
dc.abstract.enGPCRsignal (https://gpcrsignal.biomodellab.eu/) is a webserver devoted to signaling complexes of G-protein–coupled receptors (GPCRs). The recent improvement in cryo-electron microscopy resulted in the determination of a large number of highresolution structures of GPCRs bound to their effector proteins: G proteins or arrestins. Analyzing the interfaces between receptor and an effector protein is of high importance since a selection of proper G protein or specific conformation of arrestin leads to changes of signaling that can significantly affect action of drugs. GPCRsignal provides a possibility of running molecular dynamics simulations of all currently available GPCR-effector protein complexes for curated structures: wild-type, with crystal/cryoEM mutations, or with mutations introduced by the user. The simulations are performed in an implicit water-membrane environment, so they are rather fast. User can run several simulations to obtain statistically valid results. The simulations can be analyzed separately using dynamic FlarePlots for particular types of interactions. One can also compare groups of simulations in Interaction frequency analysis as HeatMaps and also in interaction frequency difference analysis as sticks, linking the interacting residues, of different color and size proportional to differences in contact frequencies.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorPasznik, Paweł
dc.contributor.authorJakowiecki, Jakub
dc.contributor.authorFilipek, Sławomir
dc.contributor.authorNiewieczerzał, Szymon
dc.contributor.authorMiszta, Przemysław
dc.date.accessioned2024-01-25T02:22:19Z
dc.date.available2024-01-25T02:22:19Z
dc.date.copyright2021-06-01
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financeŚrodki finansowe przyznane na realizację projektu w zakresie badań naukowych lub prac rozwojowych
dc.description.numberW1
dc.description.versionFINAL_PUBLISHED
dc.description.volume49
dc.identifier.doi10.1093/NAR/GKAB434
dc.identifier.issn0305-1048
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/108078
dc.identifier.weblinkhttp://academic.oup.com/nar/article-pdf/49/W1/W247/38842105/gkab434.pdf
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofNucleic Acids Research
dc.relation.pagesW247-W256
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleGPCRsignal: webserver for analysis of the interface between G-protein–coupled receptors and their effector proteins by dynamics and mutations
dc.typeJournalArticle
dspace.entity.typePublication