Brand  (β version)

PDB ID: 4DRP

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Ligands
Code Name Style Show Link
0MD {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 PoSSuM
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Structure summary

Code : 4DRP   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization
Release Data : 2012-05-16
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
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 : Gopalakrishnan, R., Kozany, C., Gaali, S., Kress, C., Hoogeland, B., Bracher, A., Hausch, F.
Keywords : Fk-506 binding domain, Hsp90 cochaperone, immunophilin, peptidyl-prolyl isomerase, ISOMERASE
Exp. method : X-RAY DIFFRACTION ( 1.8000 Å )
Citation :

Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.

Gopalakrishnan, R.,Kozany, C.,Gaali, S.  et al.
(2012)  J.Med.Chem.  55 : 4114 - 4122

PubMed: 22455444
DOI: 10.1021/jm201746x

Reaction

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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