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New page: left|200px<br /><applet load="1sqi" size="450" color="white" frame="true" align="right" spinBox="true" caption="1sqi, resolution 2.15Å" /> '''Structural basis for...
 
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[[Image:1sqi.jpg|left|200px]]<br /><applet load="1sqi" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1sqi, resolution 2.15&Aring;" />
'''Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases'''<br />


==Overview==
==Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases==
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.
<StructureSection load='1sqi' size='340' side='right'caption='[[1sqi]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1sqi]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SQI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SQI 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]] 2.15&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=869:(1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4-METHOXY-2-METHYL-1,1-BIPHENYL-3-YL]METHANONE'>869</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</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=1sqi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sqi OCA], [https://pdbe.org/1sqi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1sqi RCSB], [https://www.ebi.ac.uk/pdbsum/1sqi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1sqi ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/HPPD_RAT HPPD_RAT] Key enzyme in the degradation of tyrosine.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/sq/1sqi_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=1sqi ConSurf].
<div style="clear:both"></div>


==About this Structure==
==See Also==
1SQI is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus] with FE and 869 as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1SQI OCA].
*[[Dioxygenase 3D structures|Dioxygenase 3D structures]]
 
__TOC__
==Reference==
</StructureSection>
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]
[[Category: Large Structures]]
[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
[[Category: Single protein]]
[[Category: Camper DL]]
[[Category: Camper, D.L.]]
[[Category: Foster ML]]
[[Category: Foster, M.L.]]
[[Category: Pernich DJ]]
[[Category: Pernich, D.J.]]
[[Category: Pflugrath JW]]
[[Category: Pflugrath, J.W.]]
[[Category: Walsh TA]]
[[Category: Walsh, T.A.]]
[[Category: Yang C]]
[[Category: Yang, C.]]
[[Category: 869]]
[[Category: FE]]
[[Category: rat 4-hydroxyphenylpyruvate dioxygenase]]
 
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