Journal of chemical information and modeling
Computational Insights into the N-Migration and Oxidative Rearrangement Involved in the N-Nitrosourea Formation Catalyzed by the Cupin Domain of Multidomain Metalloenzyme SznF.
Hong Li, Yongjun Liu, Yongqing Zhang
Published: 202610.1021/acs.jcim.5c02951
Abstract
The multidomain metalloenzyme SznF can specifically catalyze the conversion of Nω-methyl-l-arginine (l-NMA) to Nδ-hydroxy-Nω-methyl-Nω-nitroso-l-citrulline (l-NHMA), which is the key step for the biosynthesis of the N-nitrosourea pharmacophore, a pre…
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