6SAF

The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate

6SAF の概要

• エントリーDOI: 10.2210/pdb6saf/pdb
• 分子名称: Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]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, chaperone
• 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: 14716.94

構造登録者

Feng, X.,Sippel, C.,Knaup, F.,Bracher, A.,Staibano, S.,Romano, M.F.,Hausch, F. (登録日: 2019-07-16, 公開日: 2019-12-18, 最終更新日: 2024-01-24)

• 主引用文献: Feng, X.,Sippel, C.,Knaup, F.H.,Bracher, A.,Staibano, S.,Romano, M.F.,Hausch, F.; A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.; J.Med.Chem., 63:231-240, 2020; PubMed: 31800244; DOI: 10.1021/acs.jmedchem.9b01157

実験手法

X-RAY DIFFRACTION (2.05 Å)