Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol

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• 作者：Natacha Rochel ; Shinji Hourai ; Xenxo Pé ; rez-Garcí ; a ; Antonio Rumbo ; Antonio Mourino ; Dino Moras
• 关键词：Vitamin D nuclear receptor ; 1α ; 25(OH)₂D₃ ; 21-Nor-calcitriol-20(22) ; 23-diyne ; Crystal structure
• 刊名：Archives of Biochemistry and Biophysics
• 出版年：2007
• 出版时间：15 April 2007
• 年：2007
• 卷：460
• 期：2
• 页码：172-176
• 全文大小：348 K

文摘

The crystal structures of vitamin D nuclear receptor (VDR) have revealed that all compounds are anchored by the same residues to the ligand binding pocket (LBP). Based on this observation, a synthetic analog with a locked side chain (21-nor-calcitriol-20(22),23-diyne) has been synthesized in order to gain in entropy energy with a predefined active side chain conformation. The crystal structure of VDR LBD bound to this locked side chain analogue while confirming the docking provides a structural basis for the activity of this compound.