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

Summary for 5DIT

Entry DOI	10.2210/pdb5dit/pdb
Descriptor	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)
Functional Keywords	fk-506 binding domain, hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, isomerase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: Q13451
Total number of polymer chains	1
Total formula weight	14706.95
Authors	Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. (deposition date: 2015-09-01, release date: 2015-10-14, Last modification date: 2015-10-21)
Primary citation	Feng, X.,Sippel, C.,Bracher, A.,Hausch, F. Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands. J.Med.Chem., 58:7796-7806, 2015 Cited by PubMed: 26419422 DOI: 10.1021/acs.jmedchem.5b00785 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation