1x7b

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(New page: 200px<br /> <applet load="1x7b" size="450" color="white" frame="true" align="right" spinBox="true" caption="1x7b, resolution 2.30&Aring;" /> '''CRYSTAL STRUCTURE O...)
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[[Image:1x7b.gif|left|200px]]<br />
 
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<applet load="1x7b" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1x7b, resolution 2.30&Aring;" />
 
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'''CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041==
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We present the structure-based optimization of a series of estrogen, receptor-beta (ERbeta) selective ligands. X-ray cocrystal structures of, these ligands complexed to both ERalpha and ERbeta are described. We also, discuss how molecular modeling was used to take advantage of subtle, differences between the two binding cavities in order to optimize, selectivity for ERbeta over ERalpha. Quantum chemical calculations are, utilized to gain insight into the mechanism of selectivity enhancement., Despite only two relatively conservative residue substitutions in the, ligand binding pocket, the most selective compounds have greater than, 100-fold selectivity for ERbeta relative to ERalpha when measured using a, competitive radioligand binding assay.
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<StructureSection load='1x7b' size='340' side='right'caption='[[1x7b]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1x7b]] is a 4 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=1X7B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1X7B FirstGlance]. <br>
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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]] 2.3&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=041:2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL'>041</scene></td></tr>
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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=1x7b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1x7b OCA], [https://pdbe.org/1x7b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1x7b RCSB], [https://www.ebi.ac.uk/pdbsum/1x7b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1x7b 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/x7/1x7b_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=1x7b ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1X7B is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with 041 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1X7B OCA].
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*[[Estrogen receptor 3D structures|Estrogen receptor 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Structure-based design of estrogen receptor-beta selective ligands., Manas ES, Unwalla RJ, Xu ZB, Malamas MS, Miller CP, Harris HA, Hsiao C, Akopian T, Hum WT, Malakian K, Wolfrom S, Bapat A, Bhat RA, Stahl ML, Somers WS, Alvarez JC, J Am Chem Soc. 2004 Nov 24;126(46):15106-19. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15548008 15548008]
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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: Akopian, T.]]
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[[Category: Akopian T]]
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[[Category: Alvarez, J.C.]]
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[[Category: Alvarez JC]]
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[[Category: Bapat, A.]]
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[[Category: Bapat A]]
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[[Category: Bhat, R.A.]]
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[[Category: Bhat RA]]
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[[Category: Harris, H.A.]]
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[[Category: Harris HA]]
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[[Category: Hsiao, C.]]
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[[Category: Hsiao C]]
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[[Category: Hum, W.T.]]
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[[Category: Hum WT]]
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[[Category: Malakian, K.]]
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[[Category: Malakian K]]
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[[Category: Malamas, M.S.]]
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[[Category: Malamas MS]]
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[[Category: Manas, E.S.]]
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[[Category: Manas ES]]
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[[Category: Miller, C.P.]]
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[[Category: Miller CP]]
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[[Category: Somers, W.S.]]
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[[Category: Somers WS]]
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[[Category: Stahl, M.L.]]
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[[Category: Stahl ML]]
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[[Category: Unwalla, R.J.]]
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[[Category: Unwalla RJ]]
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[[Category: Wolfrom, S.]]
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[[Category: Wolfrom S]]
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[[Category: Xu, Z.B.]]
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[[Category: Xu ZB]]
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[[Category: 041]]
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[[Category: agonist]]
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[[Category: er]]
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[[Category: er-beta]]
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[[Category: estrogen]]
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[[Category: estrogen receptor]]
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[[Category: estrogen receptor beta]]
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[[Category: nuclear receptor]]
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[[Category: transcription factor]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 20:01:39 2007''
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Current revision

CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH ERB-041

PDB ID 1x7b

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