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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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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2021
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8222352/ https://ncbi.nlm.nih.gov/pubmed/34162941 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-92480-w |
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