Brand  (β version)

PDB ID: 5OBK

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Ligands
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9QN (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one PoSSuM
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Structure summary

Code : 5OBK   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Release Data : 2018-04-04
Compound :
mol_id molecule chains synonym
1 Peptidyl-prolyl cis-trans isomerase FKBP5 A PPIase FKBP5,51 kDa FK506-binding protein,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: Fk1 domain
mutation: additional N-terminal sequence GAP, cloning artefact, mutation A19T
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: FKBP5, AIG6, FKBP51
expression_system_variant: codon+ RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pProEx-HtB
Authors : Pomplun, S., Sippel, C., Haehle, A., Bracher, A., Hausch, F.
Keywords : Fk-506 binding domain, Hsp90 cochaperone, immunophiline, peptidyl-prolyl isomerase, ligand selectivity, ISOMERASE
Exp. method : X-RAY DIFFRACTION ( 1.0000 Å )
Citation :

Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins.

Pomplun, S.,Sippel, C.,Hahle, A.  et al.
(2018)  J. Med. Chem.  61 : 3660 - 3673

PubMed: 29578710
DOI: 10.1021/acs.jmedchem.8b00137

Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90

Bracher, A.,Kozany, C.,Thost, A.K.  et al.
(2011)  ACTA CRYSTALLOGR.,SECT.D  67 : 549 - 559

PubMed: 21636895
DOI: 10.1107/S0907444911013862

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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