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1sqd

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(New page: 200px<br /><applet load="1sqd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1sqd, resolution 1.8&Aring;" /> '''Structural basis for ...)
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[[Image:1sqd.jpg|left|200px]]<br /><applet load="1sqd" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1sqd, resolution 1.8&Aring;" />
 
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'''Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases'''<br />
 
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==Overview==
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==Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases==
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A high degree of selectivity toward the target site of the pest organism, is a desirable attribute for new safer agrochemicals. To assist in the, design of novel herbicides, we determined the crystal structures of the, herbicidal target enzyme 4-hydroxyphenylpyruvate dioxygenase (HPPD; EC, 1.13.11.27) from the plant Arabidopsis thaliana with and without an, herbicidal benzoylpyrazole inhibitor that potently inhibits both plant and, mammalian HPPDs. We also determined the structure of a mammalian (rat), HPPD in complex with the same nonselective inhibitor. From a screening, campaign of over 1000 HPPD inhibitors, six highly plant-selective, inhibitors were found. One of these had remarkable (&gt;1600-fold), selectivity toward the plant enzyme and was cocrystallized with, Arabidopsis HPPD. Detailed comparisons of the plant and mammalian, HPPD-ligand structures suggest a structural basis for the high degree of, plant selectivity of certain HPPD inhibitors and point to design, strategies to obtain potent and selective inhibitors of plant HPPD as, agrochemical leads.
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<StructureSection load='1sqd' size='340' side='right'caption='[[1sqd]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1sqd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Arabidopsis_thaliana Arabidopsis thaliana]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SQD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SQD 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]] 1.8&#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=FE:FE+(III)+ION'>FE</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=1sqd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sqd OCA], [https://pdbe.org/1sqd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1sqd RCSB], [https://www.ebi.ac.uk/pdbsum/1sqd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1sqd ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HPPD_ARATH HPPD_ARATH]
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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/sq/1sqd_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=1sqd 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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1SQD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Arabidopsis_thaliana Arabidopsis thaliana] with FE as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/4-hydroxyphenylpyruvate_dioxygenase 4-hydroxyphenylpyruvate dioxygenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.13.11.27 1.13.11.27] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1SQD OCA].
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*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases., Yang C, Pflugrath JW, Camper DL, Foster ML, Pernich DJ, Walsh TA, Biochemistry. 2004 Aug 17;43(32):10414-23. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15301540 15301540]
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[[Category: 4-hydroxyphenylpyruvate dioxygenase]]
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[[Category: Arabidopsis thaliana]]
[[Category: Arabidopsis thaliana]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Camper, D.L.]]
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[[Category: Camper DL]]
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[[Category: Foster, M.L.]]
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[[Category: Foster ML]]
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[[Category: Pernich, D.J.]]
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[[Category: Pernich DJ]]
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[[Category: Pflugrath, J.W.]]
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[[Category: Pflugrath JW]]
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[[Category: Walsh, T.A.]]
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[[Category: Walsh TA]]
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[[Category: Yang, C.]]
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[[Category: Yang C]]
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[[Category: FE]]
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[[Category: oxidoreductase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 02:34:00 2007''
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Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases

PDB ID 1sqd

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