4W9P

The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

Summary for 4W9P

Entry DOI	10.2210/pdb4w9p/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, ... (4 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	2
Total formula weight	29377.27
Authors	Pomplun, S.,Wang, Y.,Kirschner, K.,Kozany, C.,Bracher, A.,Hausch, F. (deposition date: 2014-08-27, release date: 2014-12-03, Last modification date: 2024-01-10)
Primary citation	Pomplun, S.,Wang, Y.,Kirschner, A.,Kozany, C.,Bracher, A.,Hausch, F. Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54:345-348, 2015 Cited by PubMed: 25412894 DOI: 10.1002/anie.201408776 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation