Probing the orientation of inhibitor and epoxy-eicosatrienoic acid binding in the active site of soluble epoxide hydrolase

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• 作者：Kin Sing Stephen Lee^a ; Niel M. Henriksen^b ; Connie J. Ng^a ; Jun Yang^a ; Weitao Jia^c ; Christophe Morisseau^a ; Armann Andaya^c ; Michael K. Gilson^b ; Bruce D. Hammock^a ; ^{bdhammock@ucdavis.edu}
• 关键词：Photoaffinity tag ; Photolabel ; Soluble epoxide hydrolase ; Epoxyeicosatrienoic acid ; Computational simulation ; Peptide sequencing
• 刊名：Archives of Biochemistry and Biophysics
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：613
• 期：Complete
• 页码：1-11
• 全文大小：1872 K
• 卷排序：613

文摘

sEH inhibitor and EET photolabel mimics have been synthesized. These photolabel mimics can be used to identify the binding site of EET in sEH. The carboxylate of EET does not play an important role in its binding to sEH. The binding orientation of EET is dictated by the stereochemistry of its epoxide. A new computational model can predict how inhibitors and epoxides bind to sEH.