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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
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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

Chain : A
UniProt : Q13451 (FKBP5_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
[protein]-peptidylproline (omega=180) = [protein]- peptidylproline (omega=0) 5.2.1.8 PubMed:11350175
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