2jj3

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[[Image:2jj3.jpg|left|200px]]
 
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{{Structure
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==Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist==
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|PDB= 2jj3 |SIZE=350|CAPTION= <scene name='initialview01'>2jj3</scene>, resolution 2.28&Aring;
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<StructureSection load='2jj3' size='340' side='right'caption='[[2jj3]], [[Resolution|resolution]] 2.28&Aring;' scene=''>
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|SITE= <scene name='pdbsite=AC1:Jj3+Binding+Site+For+Chain+B'>AC1</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=JJ3:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL'>JJ3</scene>
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<table><tr><td colspan='2'>[[2jj3]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2JJ3 FirstGlance]. <br>
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|ACTIVITY=
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.28&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JJ3:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL'>JJ3</scene></td></tr>
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}}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2jj3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jj3 OCA], [https://pdbe.org/2jj3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2jj3 RCSB], [https://www.ebi.ac.uk/pdbsum/2jj3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2jj3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ESR2_HUMAN ESR2_HUMAN] Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/jj/2jj3_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2jj3 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta are supportive of this approach to improve selectivity in this structural class.
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'''ESTROGEN RECEPTOR BETA LIGAND BINDING DOMAIN IN COMPLEX WITH A BENZOPYRAN AGONIST'''
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Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring.,Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT Bioorg Med Chem Lett. 2007 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:17662603<ref>PMID:17662603</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2jj3" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER receptor subtypes alpha and beta in opposite orientations. We have used structure based drug design to show that this unique phenomena can be exploited via substitution at the 8-position of the benzopyran A-ring to disrupt binding to ERalpha, thus improving ERbeta subtype selectivity. X-ray cocrystal structures with ERalpha and ERbeta are supportive of this approach to improve selectivity in this structural class.
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*[[Estrogen receptor 3D structures|Estrogen receptor 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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2JJ3 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JJ3 OCA].
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__TOC__
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</StructureSection>
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==Reference==
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Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring., Norman BH, Richardson TI, Dodge JA, Pfeifer LA, Durst GL, Wang Y, Durbin JD, Krishnan V, Dinn SR, Liu S, Reilly JE, Ryter KT, Bioorg Med Chem Lett. 2007 Sep 15;17(18):5082-5. Epub 2007 Jul 13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17662603 17662603]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Dinn, S R.]]
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[[Category: Dinn SR]]
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[[Category: Dodge, J A.]]
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[[Category: Dodge JA]]
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[[Category: Durbin, J D.]]
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[[Category: Durbin JD]]
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[[Category: Durst, G L.]]
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[[Category: Durst GL]]
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[[Category: Krishnan, V.]]
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[[Category: Krishnan V]]
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[[Category: Liu, S.]]
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[[Category: Liu S]]
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[[Category: Norman, B H.]]
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[[Category: Norman BH]]
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[[Category: Pfeifer, L A.]]
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[[Category: Pfeifer LA]]
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[[Category: Reilly, J E.]]
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[[Category: Reilly JE]]
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[[Category: Richardson, T I.]]
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[[Category: Richardson TI]]
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[[Category: Ryter, K T.]]
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[[Category: Ryter KT]]
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[[Category: Wang, Y.]]
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[[Category: Wang Y]]
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[[Category: JJ3]]
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[[Category: alternative splicing]]
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[[Category: dna-binding]]
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[[Category: ligand binding domain]]
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[[Category: lipid-binding]]
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[[Category: metal-binding]]
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[[Category: nuclear receptor]]
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[[Category: nucleus]]
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[[Category: phosphorylation]]
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[[Category: receptor]]
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[[Category: steroid-binding]]
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[[Category: transcription]]
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[[Category: transcription regulation]]
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[[Category: zinc]]
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[[Category: zinc-finger]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:42:37 2008''
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Current revision

Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist

PDB ID 2jj3

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