dc.creatorCaparotta, Marcelo Rubén
dc.creatorTomes, Claudia Nora
dc.creatorMayorga, Luis Segundo
dc.creatorMasone, Diego Fernando
dc.date.accessioned2021-09-21T13:35:03Z
dc.date.accessioned2022-10-15T16:47:24Z
dc.date.available2021-09-21T13:35:03Z
dc.date.available2022-10-15T16:47:24Z
dc.date.created2021-09-21T13:35:03Z
dc.date.issued2020-11
dc.identifierCaparotta, Marcelo Rubén; Tomes, Claudia Nora; Mayorga, Luis Segundo; Masone, Diego Fernando; The Synaptotagmin-1 C2B Domain Is a Key Regulator in the Stabilization of the Fusion Pore; American Chemical Society; Journal of Chemical Theory and Computation; 16; 12; 11-2020; 7840-7851
dc.identifier1549-9618
dc.identifierhttp://hdl.handle.net/11336/140993
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4411251
dc.description.abstractFusion pores serve as an effective mechanism to connect intracellular organelles and release vesicle contents during exocytosis. A complex lipid rearrangement takes place as membranes approximate, bend, fuse, and establish a traversing water channel to define the fusion pore, linking initially isolated chambers. Thermodynamically, the process is unfavorable and thought to be mediated by specialized proteins. In this work, we have developed a reaction coordinate to induce fusion pores from initially flat and parallel lipid bilayers and we have used it to describe the effects of the synaptotagmin-1 C2B domain during the process. We have obtained free-energy profiles of the whole lipid reorganization in biologically realistic membranes, going from planar and parallel bilayers through stalk hemifusion to water channel formation. Our results point to a lysine-rich polybasic region on synaptotagmin-1 C2B as the key to lipid reorganization control through the formation of phosphatidylinositol bisphosphate clusters that stabilize the fusion pore.
dc.languageeng
dc.publisherAmerican Chemical Society
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jctc.0c00734
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jctc.0c00734
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectsynaptotagmin
dc.subjectfusion pore
dc.subjectmolecular dynamics
dc.subjectlipids
dc.titleThe Synaptotagmin-1 C2B Domain Is a Key Regulator in the Stabilization of the Fusion Pore
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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