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Moreno, D.M.; Martí, M.A.; De Biase, P.M.; Estrin, D.A.; Demicheli, V.; Radi, R.; Boechi, L. "Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" (2011) Archives of Biochemistry and Biophysics. 507(2):304-309
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Abstract:

Manganese Superoxide Dismutase (MnSOD) is an essential mitochondrial antioxidant enzyme that protects organisms against oxidative damage, dismutating superoxide radical (O2-) into H2O2 and O2. The active site of the protein presents a Mn ion in a distorted trigonal-bipyramidal environment, coordinated by H26, H74, H163, D159 and one -OH ion or H2O molecule. The catalytic cycle of the enzyme is a "ping-pong" mechanism involving Mn3+/Mn2+. It is known that nitration of Y34 is responsible for enzyme inactivation, and that this protein oxidative modification is found in tissues undergoing inflammatory and degenerative processes. However, the molecular basis about MnSOD tyrosine nitration affects the protein catalytic function is mostly unknown. In this work we strongly suggest, using computer simulation tools, that Y34 nitration affects protein function by restricting ligand access to the active site. In particular, deprotonation of 3-nitrotyrosine increases drastically the energetic barrier for ligand entry due to the absence of the proton. Our results for the WT and selected mutant proteins confirm that the phenolic moiety of Y34 plays a key role in assisting superoxide migration. © 2010 Elsevier Inc. All rights reserved.

Registro:

Documento: Artículo
Título:Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration
Autor:Moreno, D.M.; Martí, M.A.; De Biase, P.M.; Estrin, D.A.; Demicheli, V.; Radi, R.; Boechi, L.
Filiación:Facultad de Ciencias Exactas Y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, C1428EHA Buenos Aires, Argentina
Departamento de Bioquímica, Center for Free Radical and Biomedical Research, Universidad de la República, Av. Gral Flores 2125, Montevideo, Uruguay
Palabras clave:Enzyme inactivation; Free energy; Ligand migration; Manganese superoxide dismutase; MnSOD; Molecular dynamics; MSMD; Multiple steered molecular dynamics; Tyrosine nitration; 3 nitrotyrosine; manganese superoxide dismutase; superoxide; article; computer simulation; enzyme active site; enzyme inactivation; nitration; priority journal; protein function; proton transport; Catalytic Domain; Enzyme Activation; Humans; Molecular Dynamics Simulation; Mutation; Nitro Compounds; Superoxide Dismutase; Superoxides; Thermodynamics; Tyrosine
Año:2011
Volumen:507
Número:2
Página de inicio:304
Página de fin:309
DOI: http://dx.doi.org/10.1016/j.abb.2010.12.011
Título revista:Archives of Biochemistry and Biophysics
Título revista abreviado:Arch. Biochem. Biophys.
ISSN:00039861
CODEN:ABBIA
CAS:3 nitrotyrosine, 3604-79-3; superoxide, 11062-77-4; Nitro Compounds; Superoxide Dismutase, 1.15.1.1; Superoxides, 11062-77-4; Tyrosine, 55520-40-6
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00039861_v507_n2_p304_Moreno

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Citas:

---------- APA ----------
Moreno, D.M., Martí, M.A., De Biase, P.M., Estrin, D.A., Demicheli, V., Radi, R. & Boechi, L. (2011) . Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration. Archives of Biochemistry and Biophysics, 507(2), 304-309.
http://dx.doi.org/10.1016/j.abb.2010.12.011
---------- CHICAGO ----------
Moreno, D.M., Martí, M.A., De Biase, P.M., Estrin, D.A., Demicheli, V., Radi, R., et al. "Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" . Archives of Biochemistry and Biophysics 507, no. 2 (2011) : 304-309.
http://dx.doi.org/10.1016/j.abb.2010.12.011
---------- MLA ----------
Moreno, D.M., Martí, M.A., De Biase, P.M., Estrin, D.A., Demicheli, V., Radi, R., et al. "Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration" . Archives of Biochemistry and Biophysics, vol. 507, no. 2, 2011, pp. 304-309.
http://dx.doi.org/10.1016/j.abb.2010.12.011
---------- VANCOUVER ----------
Moreno, D.M., Martí, M.A., De Biase, P.M., Estrin, D.A., Demicheli, V., Radi, R., et al. Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration. Arch. Biochem. Biophys. 2011;507(2):304-309.
http://dx.doi.org/10.1016/j.abb.2010.12.011