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Freiberger, M.I.; Brenda Guzovsky, A.; Wolynes, P.G.; Gonzalo Parra, R.; Ferreiro, D.U. "Local frustration around enzyme active sites" (2019) Proceedings of the National Academy of Sciences of the United States of America. 116(10):4037-4043
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Abstract:

Conflicting biological goals often meet in the specification of protein sequences for structure and function. Overall, strong energetic conflicts are minimized in folded native states according to the principle of minimal frustration, so that a sequence can spontaneously fold, but local violations of this principle open up the possibility to encode the complex energy landscapes that are required for active biological functions. We survey the local energetic frustration patterns of all protein enzymes with known structures and experimentally annotated catalytic residues. In agreement with previous hypotheses, the catalytic sites themselves are often highly frustrated regardless of the protein oligomeric state, overall topology, and enzymatic class. At the same time a secondary shell of more weakly frustrated interactions surrounds the catalytic site itself. We evaluate the conservation of these energetic signatures in various family members of major enzyme classes, showing that local frustration is evolutionarily more conserved than the primary structure itself. © 2019 National Academy of Sciences. All Rights Reserved.

Registro:

Documento: Artículo
Título:Local frustration around enzyme active sites
Autor:Freiberger, M.I.; Brenda Guzovsky, A.; Wolynes, P.G.; Gonzalo Parra, R.; Ferreiro, D.U.
Filiación:Protein Physiology Laboratory, Departamento de Química Biológica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Tecnológicas, Instituto de Química Biológica de la Facultad de Ciencias Exactas y Naturales, Buenos Aires, C1428EGA, Argentina
Facultad de Ingeniería, Universidad Nacional de Entre Ríos, Entre Ríos, E3101, Argentina
Center for Theoretical Biological Physics, Rice University, Houston, TX 77005, United States
Genome Biology Unit, European Molecular Biology Laboratory, Heidelberg, 69117, Germany
Palabras clave:Bioinformatics; Catalytic sites; Evolution; Local frustration; Protein enzymes; article; bioinformatics; catalysis; enzyme active site; enzyme activity; frustration; oligomerization
Año:2019
Volumen:116
Número:10
Página de inicio:4037
Página de fin:4043
DOI: http://dx.doi.org/10.1073/pnas.1819859116
Título revista:Proceedings of the National Academy of Sciences of the United States of America
Título revista abreviado:Proc. Natl. Acad. Sci. U. S. A.
ISSN:00278424
CODEN:PNASA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00278424_v116_n10_p4037_Freiberger

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Citas:

---------- APA ----------
Freiberger, M.I., Brenda Guzovsky, A., Wolynes, P.G., Gonzalo Parra, R. & Ferreiro, D.U. (2019) . Local frustration around enzyme active sites. Proceedings of the National Academy of Sciences of the United States of America, 116(10), 4037-4043.
http://dx.doi.org/10.1073/pnas.1819859116
---------- CHICAGO ----------
Freiberger, M.I., Brenda Guzovsky, A., Wolynes, P.G., Gonzalo Parra, R., Ferreiro, D.U. "Local frustration around enzyme active sites" . Proceedings of the National Academy of Sciences of the United States of America 116, no. 10 (2019) : 4037-4043.
http://dx.doi.org/10.1073/pnas.1819859116
---------- MLA ----------
Freiberger, M.I., Brenda Guzovsky, A., Wolynes, P.G., Gonzalo Parra, R., Ferreiro, D.U. "Local frustration around enzyme active sites" . Proceedings of the National Academy of Sciences of the United States of America, vol. 116, no. 10, 2019, pp. 4037-4043.
http://dx.doi.org/10.1073/pnas.1819859116
---------- VANCOUVER ----------
Freiberger, M.I., Brenda Guzovsky, A., Wolynes, P.G., Gonzalo Parra, R., Ferreiro, D.U. Local frustration around enzyme active sites. Proc. Natl. Acad. Sci. U. S. A. 2019;116(10):4037-4043.
http://dx.doi.org/10.1073/pnas.1819859116