Mechanistic Insights into the N‐Hydroxylations Catalyzed by the Binuclear Iron Domain of SznF Enzyme: Key Piece in the Synthesis of Streptozotocin
Rui‐Ning Li,
Shi‐Lu Chen
Abstract:SznF, a member of the emerging family of heme‐oxygenase‐like (HO‐like) di‐iron oxidases and oxygenases, employs two distinct domains to catalyze the conversion of Nω‐methyl‐L‐arginine (L‐NMA) into N‐nitroso‐containing product, which can subsequently be transformed into streptozotocin. Using unrestricted density functional theory (UDFT) with the hybrid functional B3LYP, we have mechanistically investigated the two sequential hydroxylations of L‐NMA catalyzed by SznF's binuclear iron central domain. Mechanism B … Show more
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