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Investigating the substrate binding mechanism of sulfotransferase 2A1 based on substrate tunnel analysis: a molecular dynamics simulation study

Autor: Pu Tian, Shiyang Long, Linlin Wang, Pupu Zhang, Hanyong Jin, Li Zhao, Weiwei Han

Publikováno v: Journal of molecular modeling. 22(8)

Cytosolic sulfotransferases (SULTs) catalyze the transfer of a sulfonate group from the unique cofactor 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to a large number of diverse substrates. In this work, tunnels that facilitate the transport of subst

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b565f2f8cdb562ea6cea731e025d2235
https://pubmed.ncbi.nlm.nih.gov/27392745

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The impact of ligands on the structure and flexibility of sulfotransferases: a molecular dynamics simulation study

Autor: Pupu Zhang, Linlin Wang, Li Zhao, Pu Tian, Shiyang Long

Publikováno v: Journal of molecular modeling. 21(8)

Sulfotransferases catalyze transfer of the sulfuryl-group (-SO3) from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to a large number of substrates. They play an important role in phase II metabolic process. The impact of the cofactor (PAPS) on the st

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61db35a0715db0be8c9cb2e90ed47107
https://pubmed.ncbi.nlm.nih.gov/26149755

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