Predicting an improvement of secondary catalytic activity of promiscuos isochorismate pyruvate pyase by computational design
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Scholar |
Otros documentos de la autoría: Martí Forés, Sergio; Andres, Juan; Moliner, Vicent; Silla, Estanislao; Tuñón, Iñaki; Bertrán, Juan
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Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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http://dx.doi.org/10.1021/ja078334c |
Metadatos
Título
Predicting an improvement of secondary catalytic activity of promiscuos isochorismate pyruvate pyase by computational designAutoría
Fecha de publicación
2008Editor
American Chemical SocietyCita bibliográfica
Journal of the American Chemical Society, 130, 10, p. 2894–2895Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://pubs.acs.org/doi/abs/10.1021/ja078334cVersión
info:eu-repo/semantics/publishedVersionResumen
Improvement of the secondary catalytic activity of promiscuous enzymes can be guided by computational protein engineering. This methodology has been applied to isochorismate pyruvate lyase (IPL) that catalyzes isoch ... [+]
Improvement of the secondary catalytic activity of promiscuous enzymes can be guided by computational protein engineering. This methodology has been applied to isochorismate pyruvate lyase (IPL) that catalyzes isochorismate transformation into pyruvate and salicylate but it also presents secondary activity catalyzing the transformation of chorismate into prephenate. According to the computational results, a mutation of Val by Ile at position 38 would keep the enol pyruvyl moiety of the substrate in a diaxial conformation, closer to the TS geometry, thus reducing the free energy barrier of the chemical reaction 4.4 kcal·mol-1 with respect to the native IPL. [-]
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Copyright © 2008 American Chemical Society
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