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

Summary for 6SAF

Entry DOI	10.2210/pdb6saf/pdb
Descriptor	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)
Functional Keywords	fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, chaperone
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	14716.94
Authors	Feng, X.,Sippel, C.,Knaup, F.,Bracher, A.,Staibano, S.,Romano, M.F.,Hausch, F. (deposition date: 2019-07-16, release date: 2019-12-18, Last modification date: 2024-01-24)
Primary citation	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 Cited by PubMed: 31800244 DOI: 10.1021/acs.jmedchem.9b01157 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation