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De Biase, P.M.; Paggi, D.A.; Doctorovich, F.; Hildebrandt, P.; Estrin, D.A.; Murgida, D.H.; Marti, M.A. "Molecular basis for the electric field modulation of cytochrome c structure and function" (2009) Journal of the American Chemical Society. 131(44):16248-16256
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Abstract:

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. © 2009 American Chemical Society.

Registro:

Documento: Artículo
Título:Molecular basis for the electric field modulation of cytochrome c structure and function
Autor:De Biase, P.M.; Paggi, D.A.; Doctorovich, F.; Hildebrandt, P.; Estrin, D.A.; Murgida, D.H.; Marti, M.A.
Filiación:Departamento de Química Inorgánica, Analítica, Y Química Física, Universidad de Buenos Aires, Ciudad Universitaria, C1428EHA, Buenos Aires, Argentina
Institut für Chemie, Technische Universität Berlin, Str. des 17. Juni 135, Sekr. PC14, D10623 Berlin, Germany
Departamento de Química Biológica, Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, C1428EHA, Buenos Aires, Argentina
Palabras clave:Apoptosis; Axial ligand; Conformational change; Conformational transitions; Cytochrome C; Electric field modulation; Electron shuttle; Electron-transfer reactions; Heme iron; Heme proteins; High spins; Molecular basis; Molecular dynamics simulations; Pentacoordinated; Peroxidase activities; Protein segments; Reduction potential; Respiratory chains; Structural distortions; Structural effect; Cell death; Electric fields; Mitochondria; Molecular dynamics; Porphyrins; Reaction kinetics; Redox reactions; Hemoglobin; cytochrome c; heme; hemoprotein; iron; peroxidase; article; conformational transition; electric field; electron transport; enzyme structure; molecular dynamics; oxidation reduction reaction; protein function; simulation; Apoptosis; Cytochromes c; Heme; Ligands; Molecular Dynamics Simulation; Oxidation-Reduction; Peroxidases; Protein Conformation; Static Electricity; Thermodynamics
Año:2009
Volumen:131
Número:44
Página de inicio:16248
Página de fin:16256
DOI: http://dx.doi.org/10.1021/ja906726n
Título revista:Journal of the American Chemical Society
Título revista abreviado:J. Am. Chem. Soc.
ISSN:00027863
CODEN:JACSA
CAS:cytochrome c, 9007-43-6, 9064-84-0; heme, 14875-96-8; iron, 14093-02-8, 53858-86-9, 7439-89-6; peroxidase, 9003-99-0; Cytochromes c, 9007-43-6; Heme, 14875-96-8; Ligands; Peroxidases, 1.11.1.-
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00027863_v131_n44_p16248_DeBiase

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Citas:

---------- APA ----------
De Biase, P.M., Paggi, D.A., Doctorovich, F., Hildebrandt, P., Estrin, D.A., Murgida, D.H. & Marti, M.A. (2009) . Molecular basis for the electric field modulation of cytochrome c structure and function. Journal of the American Chemical Society, 131(44), 16248-16256.
http://dx.doi.org/10.1021/ja906726n
---------- CHICAGO ----------
De Biase, P.M., Paggi, D.A., Doctorovich, F., Hildebrandt, P., Estrin, D.A., Murgida, D.H., et al. "Molecular basis for the electric field modulation of cytochrome c structure and function" . Journal of the American Chemical Society 131, no. 44 (2009) : 16248-16256.
http://dx.doi.org/10.1021/ja906726n
---------- MLA ----------
De Biase, P.M., Paggi, D.A., Doctorovich, F., Hildebrandt, P., Estrin, D.A., Murgida, D.H., et al. "Molecular basis for the electric field modulation of cytochrome c structure and function" . Journal of the American Chemical Society, vol. 131, no. 44, 2009, pp. 16248-16256.
http://dx.doi.org/10.1021/ja906726n
---------- VANCOUVER ----------
De Biase, P.M., Paggi, D.A., Doctorovich, F., Hildebrandt, P., Estrin, D.A., Murgida, D.H., et al. Molecular basis for the electric field modulation of cytochrome c structure and function. J. Am. Chem. Soc. 2009;131(44):16248-16256.
http://dx.doi.org/10.1021/ja906726n