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Artículo

Molecular basis for the electric field modulation of cytochrome c structure and function

de Biase, Pablo MartinIcon ; Álvarez Paggi, Damián JorgeIcon ; Doctorovich, FabioIcon ; Hildebrandt, Peter; Estrin, Dario ArielIcon ; Murgida, Daniel HoracioIcon ; Marti, Marcelo AdrianIcon
Fecha de publicación: 15/10/2009
Editorial: American Chemical Society
Revista: Journal of the American Chemical Society
ISSN: 0002-7863
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Química Inorgánica y Nuclear

Resumen

Cytochrome c (Cyt) is a small soluble heme protein with a hexacoordinated heme and functions as an electron shuttle in the mitochondria and in early events of apoptosis when released to the cytoplasm. Using molecular dynamics simulations, we show here that biologically relevant electric fields induce an increased mobility and structural distortion of key protein segments that leads to the detachment of the sixth axial ligand Met80 from the heme iron. This electric-field-induced conformational transition is energetically and entropically driven and leads to a pentacoordinated high spin heme that is characterized by a drastically lowered reduction potential as well as by an increased peroxidase activity. The simulations provide a detailed atomistic picture of the structural effects of the electric field on the structure of Cyt, which allows a sound interpretation of recent experimental results. The observed conformational change may modulate the electron transfer reactions of Cyt in the mitochondria and, furthermore, may constitute a switch from the redox function in the respiratory chain to the peroxidase function in the early events of apoptosis.
Palabras clave: Cytochrome C , Electric Field , Structure Function Relationship , Molecular Dynamics
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/75371
URL: http://pubs.acs.org/doi/abs/10.1021/ja906726n
DOI: http://dx.doi.org/10.1021/ja906726n
Colecciones
Articulos(INQUIMAE)
Articulos de INST.D/QUIM FIS D/L MATERIALES MEDIOAMB Y ENERGIA
Citación
de Biase, Pablo Martin; Álvarez Paggi, Damián Jorge; Doctorovich, Fabio; Hildebrandt, Peter; Estrin, Dario Ariel; et al.; Molecular basis for the electric field modulation of cytochrome c structure and function; American Chemical Society; Journal of the American Chemical Society; 131; 44; 15-10-2009; 16248-16256
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