2HBH

Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide

2HBH の概要

• エントリーDOI: 10.2210/pdb2hbh/pdb
• 関連するPDBエントリー: 1DB1 2HC4 2HCD
• 分子名称: Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z), ... (4 entities in total)
• 機能のキーワード: alpha helical sandwich, gene regulation
• 由来する生物種: Danio rerio (zebrafish); 詳細
• 細胞内の位置: Nucleus: Q9PTN2; Nucleus (By similarity): Q15788
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 36231.29

構造登録者

Rochel, N.,Hourai, S.,Moras, D. (登録日: 2006-06-14, 公開日: 2007-05-01, 最終更新日: 2023-10-25)

主引用文献

Rochel, N.,Hourai, S.,Perez-Garcia, X.,Rumbo, A.,Mourino, A.,Moras, D.
Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol
Arch.Biochem.Biophys., 460:172-176, 2007

PubMed Abstract: 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.

PubMed: 17346665
DOI: 10.1016/j.abb.2007.01.031

実験手法

X-RAY DIFFRACTION (2.65 Å)