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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 substrates in the enzyme were studied, with and without bound cofactor, using extensive molecular dynamics simulations. Residues making up tunnels, as well...
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 structure and flexibility of the enzyme has been studied extensively, and the response of the active-cap region to cofactor binding was proposed as the...
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