4DRO

EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51 WITH (1R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidine-2-carboxylate

Summary for 4DRO

Entry DOI	10.2210/pdb4dro/pdb
Related	4DRK 4DRM 4DRN 4DRP 4DRQ
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid (3 entities in total)
Functional Keywords	fk-506 binding domain, hsp90 cochaperone, immunophilin, peptidyl-prolyl isomerase, isomerase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q13451
Total number of polymer chains	1
Total formula weight	14665.81
Authors	Gopalakrishnan, R.,Kozany, C.,Gaali, S.,Kress, C.,Hoogeland, B.,Bracher, A.,Hausch, F. (deposition date: 2012-02-17, release date: 2012-05-16, Last modification date: 2023-09-13)
Primary citation	Gopalakrishnan, R.,Kozany, C.,Gaali, S.,Kress, C.,Hoogeland, B.,Bracher, A.,Hausch, F. Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55:4114-4122, 2012 Cited by PubMed: 22455444 DOI: 10.1021/jm201746x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.1 Å)

Structure validation