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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| Principais autores: | , , , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Nature Portfolio
2021-06-01
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| Serija: | Scientific Reports |
| Online dostop: | https://doi.org/10.1038/s41598-021-92480-w |
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