Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations

Abstract Sulfotransferases (SULTs) are phase II drug-metabolizing enzymes catalyzing the sulfoconjugation from the co-factor 3′-phosphoadenosine 5′-phosphosulfate (PAPS) to a substrate. It has been previously suggested that a considerable shift of SULT structure caused by PAPS binding could control...

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Autores principales: Balint Dudas, Daniel Toth, David Perahia, Arnaud B. Nicot, Erika Balog, Maria A. Miteva
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/ece2219aba824e04a7c747cf0ec901a5
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