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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/102682
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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 Técnicas2025-09-29T09:43:26Zoai: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:34982025-09-29 09:43:26.737CONICET 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 |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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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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