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

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 the capab...

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Detalles Bibliográficos
Autores principales: Dudas, Balint, Toth, Daniel, Perahia, David, Nicot, Arnaud B., Balog, Erika, Miteva, Maria A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8222352/
https://www.ncbi.nlm.nih.gov/pubmed/34162941
http://dx.doi.org/10.1038/s41598-021-92480-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8222352/
https://www.ncbi.nlm.nih.gov/pubmed/34162941
http://dx.doi.org/10.1038/s41598-021-92480-w

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