Het-PDB Navi2 (PDB: 4JFK)

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Ligands
Code	Name		Style	Show	Link
JFK	(1s,6r)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one				PoSSuM

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Download interaction data: 4JFK

Code :

4JFK PDBj RCSB PDB PDBe

Header :

ISOMERASE

Title :

Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one

Release Data :

2013-08-28

Compound :

mol_id	molecule	chains	synonym
1	Peptidyl-prolyl cis-trans isomerase FKBP5	A	PPIase FKBP5, 51 kDa FK506-binding protein, 51 kDa FKBP, FKBP-51, 54 kDa progesterone receptor-associated immunophilin, Androgen-regulated protein 6, FF1 antigen, FK506-binding protein 5, FKBP-5, FKBP54, p54, HSP90-binding immunophilin, Rotamase
	ec: 5.2.1.8 fragment: UNP residues 16-140 mutation: A19T

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:469008)
	gene: AIG6, FKBP5, FKBP51 expression_system_strain: BL21(DE3) codon+ RIL expression_system_vector_type: plasmid expression_system_plasmid: pProEx-HtB

Authors :

Wang, Y., Kirschner, A., Fabian, A., Gopalakrishnan, R., Kress, C., Hoogeland, B., Koch, U., Kozany, C., Bracher, A., Hausch, F.

Keywords :

Fk-506 binding domain, Hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ISOMERASE

Exp. method :

X-RAY DIFFRACTION ( 1.1500 Å )

Citation :

Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.

Wang, Y.,Kirschner, A.,Fabian, A.K. et al.
(2013) J.Med.Chem. 56 : 3922 - 3935

PubMed: 23647266
DOI: 10.1021/jm400087k

PDB ID: 4JFK

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