Correlated Inter-Domain Motions in Adenylate Kinase

Autores
Esteban Martin, Santiago; Fenwick, Robert Bryn; Ådén, Jörgen; Cossins, Benjamin; Bertoncini, Carlos Walter; Guallar, Victor; Wolf Watz, Magnus; Salvatella, Xavier
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes.
Fil: Esteban Martin, Santiago. Barcelona Supercomputing Center; España
Fil: Fenwick, Robert Bryn . Institute for Research in Biomedicine; España
Fil: Ådén, Jörgen . Universidad de Umea; Suecia
Fil: Cossins, Benjamin . Barcelona Supercomputing Center; España
Fil: Bertoncini, Carlos Walter. Institute for Research in Biomedicine; España. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Biología Molecular y Celular de Rosario; Argentina
Fil: Guallar, Victor . Institució Catalana de Recerca i Estudis Avancats; España. Barcelona Supercomputing Center;; España
Fil: Wolf Watz, Magnus . Universidad de Umea; Suecia
Fil: Salvatella, Xavier . Institució Catalana de Recerca i Estudis Avancats; España. Institute for Research in Biomedicine; España
Materia
ENZYME CATALYSIS
CORRELATED MOTIONS
STRUCTURAL BIOLOGY
RESIDUAL DIPOLAR COUPLINGS
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/8817
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/8817
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Correlated Inter-Domain Motions in Adenylate KinaseEsteban Martin, SantiagoFenwick, Robert Bryn Ådén, Jörgen Cossins, Benjamin Bertoncini, Carlos WalterGuallar, Victor Wolf Watz, Magnus Salvatella, Xavier ENZYME CATALYSISCORRELATED MOTIONSSTRUCTURAL BIOLOGYRESIDUAL DIPOLAR COUPLINGShttps://purl.org/becyt/ford/1.6https://purl.org/becyt/ford/1Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes.Fil: Esteban Martin, Santiago. Barcelona Supercomputing Center; EspañaFil: Fenwick, Robert Bryn . Institute for Research in Biomedicine; EspañaFil: Ådén, Jörgen . Universidad de Umea; SueciaFil: Cossins, Benjamin . Barcelona Supercomputing Center; EspañaFil: Bertoncini, Carlos Walter. Institute for Research in Biomedicine; España. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Biología Molecular y Celular de Rosario; ArgentinaFil: Guallar, Victor . Institució Catalana de Recerca i Estudis Avancats; España. Barcelona Supercomputing Center;; EspañaFil: Wolf Watz, Magnus . Universidad de Umea; SueciaFil: Salvatella, Xavier . Institució Catalana de Recerca i Estudis Avancats; España. Institute for Research in Biomedicine; EspañaPublic Library Of Science2014-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/8817Esteban Martin, Santiago; Fenwick, Robert Bryn ; Ådén, Jörgen ; Cossins, Benjamin ; Bertoncini, Carlos Walter; et al.; Correlated Inter-Domain Motions in Adenylate Kinase; Public Library Of Science; Plos Computational Biology; 10; 7; 7-2014; 1-71553-734Xenginfo:eu-repo/semantics/altIdentifier/url/http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003721info:eu-repo/semantics/altIdentifier/doi/10.1371/journal.pcbi.1003721info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:02:45Zoai:ri.conicet.gov.ar:11336/8817instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:02:45.294CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Correlated Inter-Domain Motions in Adenylate Kinase
title Correlated Inter-Domain Motions in Adenylate Kinase
spellingShingle Correlated Inter-Domain Motions in Adenylate Kinase
Esteban Martin, Santiago
ENZYME CATALYSIS
CORRELATED MOTIONS
STRUCTURAL BIOLOGY
RESIDUAL DIPOLAR COUPLINGS
title_short Correlated Inter-Domain Motions in Adenylate Kinase
title_full Correlated Inter-Domain Motions in Adenylate Kinase
title_fullStr Correlated Inter-Domain Motions in Adenylate Kinase
title_full_unstemmed Correlated Inter-Domain Motions in Adenylate Kinase
title_sort Correlated Inter-Domain Motions in Adenylate Kinase
dc.creator.none.fl_str_mv Esteban Martin, Santiago
Fenwick, Robert Bryn
Ådén, Jörgen
Cossins, Benjamin
Bertoncini, Carlos Walter
Guallar, Victor
Wolf Watz, Magnus
Salvatella, Xavier
author Esteban Martin, Santiago
author_facet Esteban Martin, Santiago
Fenwick, Robert Bryn
Ådén, Jörgen
Cossins, Benjamin
Bertoncini, Carlos Walter
Guallar, Victor
Wolf Watz, Magnus
Salvatella, Xavier
author_role author
author2 Fenwick, Robert Bryn
Ådén, Jörgen
Cossins, Benjamin
Bertoncini, Carlos Walter
Guallar, Victor
Wolf Watz, Magnus
Salvatella, Xavier
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv ENZYME CATALYSIS
CORRELATED MOTIONS
STRUCTURAL BIOLOGY
RESIDUAL DIPOLAR COUPLINGS
topic ENZYME CATALYSIS
CORRELATED MOTIONS
STRUCTURAL BIOLOGY
RESIDUAL DIPOLAR COUPLINGS
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.6
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes.
Fil: Esteban Martin, Santiago. Barcelona Supercomputing Center; España
Fil: Fenwick, Robert Bryn . Institute for Research in Biomedicine; España
Fil: Ådén, Jörgen . Universidad de Umea; Suecia
Fil: Cossins, Benjamin . Barcelona Supercomputing Center; España
Fil: Bertoncini, Carlos Walter. Institute for Research in Biomedicine; España. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Biología Molecular y Celular de Rosario; Argentina
Fil: Guallar, Victor . Institució Catalana de Recerca i Estudis Avancats; España. Barcelona Supercomputing Center;; España
Fil: Wolf Watz, Magnus . Universidad de Umea; Suecia
Fil: Salvatella, Xavier . Institució Catalana de Recerca i Estudis Avancats; España. Institute for Research in Biomedicine; España
description Correlated inter-domain motions in proteins can mediate fundamental biochemical processes such as signal transduction and allostery. Here we characterize at structural level the inter-domain coupling in a multidomain enzyme, Adenylate Kinase (AK), using computational methods that exploit the shape information encoded in residual dipolar couplings (RDCs) measured under steric alignment by nuclear magnetic resonance (NMR). We find experimental evidence for a multi-state equilibrium distribution along the opening/closing pathway of Adenylate Kinase, previously proposed from computational work, in which inter-domain interactions disfavour states where only the AMP binding domain is closed. In summary, we provide a robust experimental technique for study of allosteric regulation in AK and other enzymes.
publishDate 2014
dc.date.none.fl_str_mv 2014-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/8817
Esteban Martin, Santiago; Fenwick, Robert Bryn ; Ådén, Jörgen ; Cossins, Benjamin ; Bertoncini, Carlos Walter; et al.; Correlated Inter-Domain Motions in Adenylate Kinase; Public Library Of Science; Plos Computational Biology; 10; 7; 7-2014; 1-7
1553-734X
url http://hdl.handle.net/11336/8817
identifier_str_mv Esteban Martin, Santiago; Fenwick, Robert Bryn ; Ådén, Jörgen ; Cossins, Benjamin ; Bertoncini, Carlos Walter; et al.; Correlated Inter-Domain Motions in Adenylate Kinase; Public Library Of Science; Plos Computational Biology; 10; 7; 7-2014; 1-7
1553-734X
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1003721
info:eu-repo/semantics/altIdentifier/doi/10.1371/journal.pcbi.1003721
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Public Library Of Science
publisher.none.fl_str_mv Public Library Of Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1844613835227398144
score 13.070432

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