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Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase
dc.contributor.author | Agrò, Sefora Naomi | |
dc.contributor.author | Rozza, Riccardo | |
dc.contributor.author | Movilla Núñez, Santiago | |
dc.contributor.author | Aupič, Jana | |
dc.contributor.author | Magistrato, Alessandra | |
dc.date.accessioned | 2023-10-31T08:18:51Z | |
dc.date.available | 2023-10-31T08:18:51Z | |
dc.date.issued | 2023-06-28 | |
dc.identifier.citation | AGRÒ, Sefora Naomi, et al. Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase. Journal of Chemical Information and Modeling, 2023, vol. 63, no 13, p. 4180-4189. | ca_CA |
dc.identifier.uri | http://hdl.handle.net/10234/204707 | |
dc.description.abstract | The spliceosome machinery catalyzes precursor-messenger RNA (pre-mRNA) splicing by undergoing at each splicing cycle assembly, activation, catalysis, and disassembly processes, thanks to the concerted action of specific RNA-dependent ATPases/helicases. Prp2, a member of the DExH-box ATPase/helicase family, harnesses the energy of ATP hydrolysis to translocate a single pre-mRNA strand in the 5′ to 3′ direction, thus promoting spliceosome remodeling to its catalytic-competent state. Here, we established the functional coupling between ATPase and helicase activities of Prp2. Namely, extensive multi-μs molecular dynamics simulations allowed us to unlock how, after pre-mRNA selection, ATP binding, hydrolysis, and dissociation induce a functional typewriter-like rotation of the Prp2 C-terminal domain. This movement, endorsed by an iterative swing of interactions established between specific Prp2 residues with the nucleobases at 5′- and 3′-ends of pre-mRNA, promotes pre-mRNA translocation. Notably, some of these Prp2 residues are conserved in the DExH-box family, suggesting that the translocation mechanism elucidated here may be applicable to all DExH-box helicases. | ca_CA |
dc.format.extent | 10 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | American Chemical Society | ca_CA |
dc.rights | Copyright © 2023 American Chemical Society | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | ca_CA |
dc.subject | spliceosome | ca_CA |
dc.subject | pre-mRNA | ca_CA |
dc.subject | helicase | ca_CA |
dc.title | Molecular Dynamics Simulations Elucidate the Molecular Basis of Pre-mRNA Translocation by the Prp2 Spliceosomal Helicase | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.1021/acs.jcim.3c00585 | |
dc.rights.accessRights | info:eu-repo/semantics/restrictedAccess | ca_CA |
dc.type.version | info:eu-repo/semantics/publishedVersion | ca_CA |
project.funder.name | Italian Association for Cancer Research (AIRC) | ca_CA |
project.funder.name | Piano Nazionale di Ripresa e Resilienza (PNRR) | ca_CA |
project.funder.name | National Center for Gene Therapy and Drugs based on RNA Technology, Italia | ca_CA |
oaire.awardNumber | IG grant 24514 | ca_CA |
oaire.awardNumber | CUP B83C22002860006 CN_0000004 | ca_CA |
oaire.awardNumber | “Giovanni Fraviga” fellowship | ca_CA |
dc.subject.ods | 3. Salud y bienestar | ca_CA |
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