View source for 3vjt


==Vitamin D receptor complex with a carborane compound==
<StructureSection load='3vjt' size='340' side='right'caption='[[3vjt]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3vjt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VJT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VJT FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=10R:1-(2-[(R)-2,4-DIHYDROXYBUTOXY]ETHYL)-12-(5-ETHYL-5-HYDROXYHEPTYL)-1,12-DICARBA-CLOSO-DODECABORANE'>10R</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3vjt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vjt OCA], [https://pdbe.org/3vjt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vjt RCSB], [https://www.ebi.ac.uk/pdbsum/3vjt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vjt ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/VDR_RAT VDR_RAT] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:17227670</ref> 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We report here the design and synthesis of a novel vitamin D receptor (VDR) agonist whose hydrophobic core structure is p-carborane (1,12-dicarba-closo-dodecaborane, an icosahedral carbon-containing boron cluster having remarkable thermal and chemical stability and a characteristically hydrophobic B-H surface). This carborane-based VDR ligand exhibited moderate vitamin D activity, comparable to that of the natural hormone, despite its simple and flexible structure. X-ray structure analysis provided direct evidence that the carborane cage binds to the hydrophobic surface of the ligand-binding pocket of the receptor, promoting transition to the active conformation. These results indicate that the spherical B-H surface of carborane can function efficiently as a hydrophobic anchor in binding to the receptor surface, thereby allowing induced fitting of the three essential hydroxyl groups on the alkyl chains to the appropriate positions for interaction with the VDR binding site, despite the entropic disadvantage of the flexible structure. We suggest that carborane structure is a promising option in the design of novel drug candidates.

Boron cluster-based development of potent nonsecosteroidal vitamin D receptor ligands: direct observation of hydrophobic interaction between protein surface and carborane.,Fujii S, Masuno H, Taoda Y, Kano A, Wongmayura A, Nakabayashi M, Ito N, Shimizu M, Kawachi E, Hirano T, Endo Y, Tanatani A, Kagechika H J Am Chem Soc. 2011 Dec 28;133(51):20933-41. Epub 2011 Nov 30. PMID:22066785<ref>PMID:22066785</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3vjt" style="background-color:#fffaf0;"></div>

==See Also==
*[[Sandbox vdr|Sandbox vdr]]
*[[Vitamin D receptor 3D structures|Vitamin D receptor 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Fujii S]]
[[Category: Ito N]]
[[Category: Kagechika H]]
[[Category: Masuno M]]
[[Category: Nakabayashi M]]