Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca

Autores
Marcelli, Agnese; Abbruzzetti, Stefania; Bustamante, Juan Pablo; Feis, Alessandro; Bonamore, Alessandra; Boffi, Alberto; Gellini, Cristina; Salvi, Pier R.; Estrin, Dario Ariel; Bruno, Stefano; Viappiani, Cristiano; Foggi, Paolo
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
CO recombination kinetics has been investigated in the type II truncated hemoglobin from Thermobifida fusca (Tf-trHb) over more than 10 time decades (from 1 ps to 100 ms) by combining femtosecond transient absorption, nanosecond laser flash photolysis and optoacoustic spectroscopy. Photolysis is followed by a rapid geminate recombination with a time constant of 2 ns representing almost 60% of the overall reaction. An additional, small amplitude geminate recombination was identified at 100 ns. Finally, CO pressure dependent measurements brought out the presence of two transient species in the second order rebinding phase, with time constants ranging from 3 to 100 ms. The available experimental evidence suggests that the two transients are due to the presence of two conformations which do not interconvert within the time frame of the experiment. Computational studies revealed that the plasticity of protein structure is able to define a branched pathway connecting the ligand binding site and the solvent. This allowed to build a kinetic model capable of describing the complete time course of the CO rebinding kinetics to Tf-trHb.
Fil: Marcelli, Agnese. European Laboratory for Non-Linear Spectroscopy; Italia
Fil: Abbruzzetti, Stefania. Università di Parma; Italia
Fil: Bustamante, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Feis, Alessandro. University of Florence; Italia
Fil: Bonamore, Alessandra. Università degli studi di Roma "La Sapienza"; Italia
Fil: Boffi, Alberto. Università degli studi di Roma "La Sapienza"; Italia
Fil: Gellini, Cristina. University of Florence; Italia
Fil: Salvi, Pier R.. University of Florence; Italia
Fil: Estrin, Dario Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Bruno, Stefano. Università di Parma; Italia
Fil: Viappiani, Cristiano. Università di Parma; Italia
Fil: Foggi, Paolo. European Laboratory for Non-Linear Spectroscopy; Italia. University of Perugia; Italia
Materia
FLASH PHOTOLYSIS, TRANSIENT ABSORTION AND OPTOACOUSTIC SPECTROSCOPY
MOLECULAR DYNAMICS SIMULATIONS
LIGAND MIGRATION PATHWAYS
THERMOBIFIDA FUSCA TRUNCATED HEMOGLOBIN
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/102682
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/102682
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fuscaMarcelli, AgneseAbbruzzetti, StefaniaBustamante, Juan PabloFeis, AlessandroBonamore, AlessandraBoffi, AlbertoGellini, CristinaSalvi, Pier R.Estrin, Dario ArielBruno, StefanoViappiani, CristianoFoggi, PaoloFLASH PHOTOLYSIS, TRANSIENT ABSORTION AND OPTOACOUSTIC SPECTROSCOPYMOLECULAR DYNAMICS SIMULATIONSLIGAND MIGRATION PATHWAYSTHERMOBIFIDA FUSCA TRUNCATED HEMOGLOBINhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1CO recombination kinetics has been investigated in the type II truncated hemoglobin from Thermobifida fusca (Tf-trHb) over more than 10 time decades (from 1 ps to 100 ms) by combining femtosecond transient absorption, nanosecond laser flash photolysis and optoacoustic spectroscopy. Photolysis is followed by a rapid geminate recombination with a time constant of 2 ns representing almost 60% of the overall reaction. An additional, small amplitude geminate recombination was identified at 100 ns. Finally, CO pressure dependent measurements brought out the presence of two transient species in the second order rebinding phase, with time constants ranging from 3 to 100 ms. The available experimental evidence suggests that the two transients are due to the presence of two conformations which do not interconvert within the time frame of the experiment. Computational studies revealed that the plasticity of protein structure is able to define a branched pathway connecting the ligand binding site and the solvent. This allowed to build a kinetic model capable of describing the complete time course of the CO rebinding kinetics to Tf-trHb.Fil: Marcelli, Agnese. European Laboratory for Non-Linear Spectroscopy; ItaliaFil: Abbruzzetti, Stefania. Università di Parma; ItaliaFil: Bustamante, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Feis, Alessandro. University of Florence; ItaliaFil: Bonamore, Alessandra. Università degli studi di Roma "La Sapienza"; ItaliaFil: Boffi, Alberto. Università degli studi di Roma "La Sapienza"; ItaliaFil: Gellini, Cristina. University of Florence; ItaliaFil: Salvi, Pier R.. University of Florence; ItaliaFil: Estrin, Dario Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Bruno, Stefano. Università di Parma; ItaliaFil: Viappiani, Cristiano. Università di Parma; ItaliaFil: Foggi, Paolo. European Laboratory for Non-Linear Spectroscopy; Italia. University of Perugia; ItaliaPublic Library of Science2012-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/102682Marcelli, Agnese; Abbruzzetti, Stefania; Bustamante, Juan Pablo; Feis, Alessandro; Bonamore, Alessandra; et al.; Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca; Public Library of Science; Plos One; 7; 6-2012; 2567-25791932-6203CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0039884info:eu-repo/semantics/altIdentifier/url/https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3391200/info:eu-repo/semantics/altIdentifier/doi/10.1371/journal.pone.0039884info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-29T11:42:39Zoai:ri.conicet.gov.ar:11336/102682instacron: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:34982025-10-29 11:42:40.16CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
title Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
spellingShingle Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
Marcelli, Agnese
FLASH PHOTOLYSIS, TRANSIENT ABSORTION AND OPTOACOUSTIC SPECTROSCOPY
MOLECULAR DYNAMICS SIMULATIONS
LIGAND MIGRATION PATHWAYS
THERMOBIFIDA FUSCA TRUNCATED HEMOGLOBIN
title_short Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
title_full Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
title_fullStr Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
title_full_unstemmed Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
title_sort Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca
dc.creator.none.fl_str_mv Marcelli, Agnese
Abbruzzetti, Stefania
Bustamante, Juan Pablo
Feis, Alessandro
Bonamore, Alessandra
Boffi, Alberto
Gellini, Cristina
Salvi, Pier R.
Estrin, Dario Ariel
Bruno, Stefano
Viappiani, Cristiano
Foggi, Paolo
author Marcelli, Agnese
author_facet Marcelli, Agnese
Abbruzzetti, Stefania
Bustamante, Juan Pablo
Feis, Alessandro
Bonamore, Alessandra
Boffi, Alberto
Gellini, Cristina
Salvi, Pier R.
Estrin, Dario Ariel
Bruno, Stefano
Viappiani, Cristiano
Foggi, Paolo
author_role author
author2 Abbruzzetti, Stefania
Bustamante, Juan Pablo
Feis, Alessandro
Bonamore, Alessandra
Boffi, Alberto
Gellini, Cristina
Salvi, Pier R.
Estrin, Dario Ariel
Bruno, Stefano
Viappiani, Cristiano
Foggi, Paolo
author2_role author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv FLASH PHOTOLYSIS, TRANSIENT ABSORTION AND OPTOACOUSTIC SPECTROSCOPY
MOLECULAR DYNAMICS SIMULATIONS
LIGAND MIGRATION PATHWAYS
THERMOBIFIDA FUSCA TRUNCATED HEMOGLOBIN
topic FLASH PHOTOLYSIS, TRANSIENT ABSORTION AND OPTOACOUSTIC SPECTROSCOPY
MOLECULAR DYNAMICS SIMULATIONS
LIGAND MIGRATION PATHWAYS
THERMOBIFIDA FUSCA TRUNCATED HEMOGLOBIN
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv CO recombination kinetics has been investigated in the type II truncated hemoglobin from Thermobifida fusca (Tf-trHb) over more than 10 time decades (from 1 ps to 100 ms) by combining femtosecond transient absorption, nanosecond laser flash photolysis and optoacoustic spectroscopy. Photolysis is followed by a rapid geminate recombination with a time constant of 2 ns representing almost 60% of the overall reaction. An additional, small amplitude geminate recombination was identified at 100 ns. Finally, CO pressure dependent measurements brought out the presence of two transient species in the second order rebinding phase, with time constants ranging from 3 to 100 ms. The available experimental evidence suggests that the two transients are due to the presence of two conformations which do not interconvert within the time frame of the experiment. Computational studies revealed that the plasticity of protein structure is able to define a branched pathway connecting the ligand binding site and the solvent. This allowed to build a kinetic model capable of describing the complete time course of the CO rebinding kinetics to Tf-trHb.
Fil: Marcelli, Agnese. European Laboratory for Non-Linear Spectroscopy; Italia
Fil: Abbruzzetti, Stefania. Università di Parma; Italia
Fil: Bustamante, Juan Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Feis, Alessandro. University of Florence; Italia
Fil: Bonamore, Alessandra. Università degli studi di Roma "La Sapienza"; Italia
Fil: Boffi, Alberto. Università degli studi di Roma "La Sapienza"; Italia
Fil: Gellini, Cristina. University of Florence; Italia
Fil: Salvi, Pier R.. University of Florence; Italia
Fil: Estrin, Dario Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Bruno, Stefano. Università di Parma; Italia
Fil: Viappiani, Cristiano. Università di Parma; Italia
Fil: Foggi, Paolo. European Laboratory for Non-Linear Spectroscopy; Italia. University of Perugia; Italia
description CO recombination kinetics has been investigated in the type II truncated hemoglobin from Thermobifida fusca (Tf-trHb) over more than 10 time decades (from 1 ps to 100 ms) by combining femtosecond transient absorption, nanosecond laser flash photolysis and optoacoustic spectroscopy. Photolysis is followed by a rapid geminate recombination with a time constant of 2 ns representing almost 60% of the overall reaction. An additional, small amplitude geminate recombination was identified at 100 ns. Finally, CO pressure dependent measurements brought out the presence of two transient species in the second order rebinding phase, with time constants ranging from 3 to 100 ms. The available experimental evidence suggests that the two transients are due to the presence of two conformations which do not interconvert within the time frame of the experiment. Computational studies revealed that the plasticity of protein structure is able to define a branched pathway connecting the ligand binding site and the solvent. This allowed to build a kinetic model capable of describing the complete time course of the CO rebinding kinetics to Tf-trHb.
publishDate 2012
dc.date.none.fl_str_mv 2012-06
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/11336/102682
Marcelli, Agnese; Abbruzzetti, Stefania; Bustamante, Juan Pablo; Feis, Alessandro; Bonamore, Alessandra; et al.; Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca; Public Library of Science; Plos One; 7; 6-2012; 2567-2579
1932-6203
CONICET Digital
CONICET
url http://hdl.handle.net/11336/102682
identifier_str_mv Marcelli, Agnese; Abbruzzetti, Stefania; Bustamante, Juan Pablo; Feis, Alessandro; Bonamore, Alessandra; et al.; Following Ligand Migration Pathways from Picoseconds to Milliseconds in Type II Truncated Hemoglobin from Thermobifida fusca; Public Library of Science; Plos One; 7; 6-2012; 2567-2579
1932-6203
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0039884
info:eu-repo/semantics/altIdentifier/url/https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3391200/
info:eu-repo/semantics/altIdentifier/doi/10.1371/journal.pone.0039884
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/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
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score 13.10058

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