9FZH

Crystal structure of the hPXR-LBD in complex with compound JMV6995

これはPDB形式変換不可エントリーです。

9FZH の概要

• エントリーDOI: 10.2210/pdb9fzh/pdb
• 分子名称: Nuclear receptor subfamily 1 group I member 2, 2-(1-adamantyl)-~{N}-[7-[1-(phenylmethyl)-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzimidazol-2-yl]heptyl]ethanamide (3 entities in total)
• 機能のキーワード: nuclear receptor, ligand binding domain, pxr, transcription
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37442.43

構造登録者

Delfosse, V.,Bourguet, W. (登録日: 2024-07-05, 公開日: 2025-02-19, 最終更新日: 2025-03-12)

主引用文献

Carivenc, C.,Laconde, G.,Blanc, P.,Amblard, M.,Bourguet, W.,Delfosse, V.
A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81:85-94, 2025

PubMed Abstract: The ligand-binding domain (LBD) of the human nuclear receptor pregnane X receptor (PXR) is known to crystallize in two different crystal forms, P222 or P422, depending on the construct and the strategy used for protein production, as well as the presence or absence of the coactivator-derived peptide SRC-1. In order to facilitate biophysical and structural studies, a versatile construct was designed that allows access to both forms. This was achieved by introducing a thrombin cleavage site between the PXR and the SRC-1 peptide fused to its C-terminus. Here, we describe the expression, purification and crystallization processes of this novel construct and report two new structures of PXR that were obtained thanks to this strategy.

PubMed: 39923198
DOI: 10.1107/S2053230X2500069X

実験手法

X-RAY DIFFRACTION (2.5 Å)