5DIT

The Fk1 domain of FKBP51 in complex with the new synthetic ligand (1R)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl)ethoxy]phenylgpropyl(2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate

5DIT の概要

• エントリーDOI: 10.2210/pdb5dit/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S,3R)-2-cyclohexyl-3-hydroxybutanoyl]piperidine-2-carboxylate (3 entities in total)
• 機能のキーワード: fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, isomerase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q13451
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14706.95

構造登録者

Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. (登録日: 2015-09-01, 公開日: 2015-10-14, 最終更新日: 2024-05-08)

• 主引用文献: Feng, X.,Sippel, C.,Bracher, A.,Hausch, F.; Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.; J.Med.Chem., 58:7796-7806, 2015; PubMed: 26419422; DOI: 10.1021/acs.jmedchem.5b00785

実験手法

X-RAY DIFFRACTION (2.25 Å)