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==The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one== | ==The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one== | ||
<StructureSection load='4w9p' size='340' side='right' caption='[[4w9p]], [[Resolution|resolution]] 1.50Å' scene=''> | <StructureSection load='4w9p' size='340' side='right' caption='[[4w9p]], [[Resolution|resolution]] 1.50Å' scene=''> | ||
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3JR:(1S,5S,6R)-10-[(3,5-DICHLOROPHENYL)SULFONYL]-5-[(1S)-1,2-DIHYDROXYETHYL]-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-3,10-DIAZABICYCLO[4.3.1]DECAN-2-ONE'>3JR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3JR:(1S,5S,6R)-10-[(3,5-DICHLOROPHENYL)SULFONYL]-5-[(1S)-1,2-DIHYDROXYETHYL]-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-3,10-DIAZABICYCLO[4.3.1]DECAN-2-ONE'>3JR</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene></td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4w9p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4w9p OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4w9p RCSB], [http://www.ebi.ac.uk/pdbsum/4w9p PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4w9p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4w9p OCA], [http://pdbe.org/4w9p PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4w9p RCSB], [http://www.ebi.ac.uk/pdbsum/4w9p PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4w9p ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4w9p" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[FK506 binding protein|FK506 binding protein]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 11:54, 11 August 2016
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-oneThe Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Structural highlights
Function[FKBP5_HUMAN] Interacts with functionally mature heterooligomeric progesterone receptor complexes along with HSP90 and TEBP. Publication Abstract from PubMedTo create highly efficient inhibitors for FK506-binding proteins, a new asymmetric synthesis for pro-(S)-C5 -branched [4.3.1] aza-amide bicycles was developed. The key step of the synthesis is an HF-driven N-acyliminium cyclization. Functionalization of the C5 moiety resulted in novel protein contacts with the psychiatric risk factor FKBP51, which led to a more than 280-fold enhancement in affinity. The most potent ligands facilitated the differentiation of N2a neuroblastoma cells with low nanomolar potency. Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).,Pomplun S, Wang Y, Kirschner A, Kozany C, Bracher A, Hausch F Angew Chem Int Ed Engl. 2014 Nov 20. doi: 10.1002/anie.201408776. PMID:25412894[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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