2HC4

Crystal structure of the LBD of VDR of Danio rerio in complex with calcitriol

2HC4 の概要

• エントリーDOI: 10.2210/pdb2hc4/pdb
• 関連するPDBエントリー: 1DB1 2HBH 2HCD
• 分子名称: Vitamin D receptor, SRC-1 from Nuclear receptor coactivator 1, 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ... (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: 36253.38

構造登録者

Ciesielski, F.,Rochel, N.,Moras, D. (登録日: 2006-06-15, 公開日: 2007-05-01, 最終更新日: 2023-10-25)

主引用文献

Ciesielski, F.,Rochel, N.,Moras, D.
Adaptability of the Vitamin D nuclear receptor to the synthetic ligand Gemini: remodelling the LBP with one side chain rotation
J.Steroid Biochem.Mol.Biol., 103:235-242, 2007

PubMed Abstract: The crystal structure of the ligand binding domain (LBD) of the wild-type Vitamin D receptor (VDR) of zebrafish bound to Gemini, a synthetic agonist ligand with two identical side chains branching at carbon 20 reveals a ligand-dependent structural rearrangement of the ligand binding pocket (LBP). The rotation of a Leu side chain opens the access to a channel that can accommodate the second side chain of the ligand. The 25% increase of the LBP's volume does not alter the essential agonist features of VDR. The possibility to adapt the LBP to novel ligands with different chemistry and/or structure opens new perspectives in the design of more specifically targeted ligands.

PubMed: 17218092
DOI: 10.1016/j.jsbmb.2006.12.003

実験手法

X-RAY DIFFRACTION (2.2 Å)