2024-03-29T15:33:44Zhttps://repositori.uji.es/oai/requestoai:repositori.uji.es:10234/741462023-06-28T08:01:56Zcom_10234_7013com_10234_9col_10234_8638
Repositori UJI
author
Martí Forés, Sergio
author
Andres, Juan
author
Moliner, Vicent
author
Silla, Estanislao
author
Tuñón, Iñaki
author
Bertrán, Juan
2013-10-14T11:27:16Z
2013-10-14T11:27:16Z
2008
Journal of the American Chemical Society, 130, 10, p. 2894–2895
http://hdl.handle.net/10234/74146
http://dx.doi.org/10.1021/ja078334c
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.
eng
Copyright © 2008 American Chemical Society
Predicting an improvement of secondary catalytic activity of promiscuos isochorismate pyruvate pyase by computational design
info:eu-repo/semantics/article
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