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[[Image:2fa0.gif|left|200px]]


{{Structure
==HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA==
|PDB= 2fa0 |SIZE=350|CAPTION= <scene name='initialview01'>2fa0</scene>, resolution 2.49&Aring;
<StructureSection load='2fa0' size='340' side='right'caption='[[2fa0]], [[Resolution|resolution]] 2.49&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=HMG:3-HYDROXY-3-METHYLGLUTARYL-COENZYME+A'>HMG</scene>
<table><tr><td colspan='2'>[[2fa0]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Brassica_juncea Brassica juncea]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2FA0 FirstGlance]. <br>
|ACTIVITY=  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.49&#8491;</td></tr>
|GENE=  
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HMG:3-HYDROXY-3-METHYLGLUTARYL-COENZYME+A'>HMG</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2fa0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fa0 OCA], [https://pdbe.org/2fa0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2fa0 RCSB], [https://www.ebi.ac.uk/pdbsum/2fa0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2fa0 ProSAT]</span></td></tr>
|RELATEDENTRY=[[2f82|2F82]], [[2f9a|2F9A]], [[2fa3|2FA3]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fa0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fa0 OCA], [http://www.ebi.ac.uk/pdbsum/2fa0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fa0 RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/Q9M6U3_BRAJU Q9M6U3_BRAJU]
 
== Evolutionary Conservation ==
'''HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA'''
[[Image:Consurf_key_small.gif|200px|right]]
 
Check<jmol>
 
  <jmolCheckbox>
==Overview==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/fa/2fa0_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2fa0 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
3-Hydroxy-3-methylglutaryl CoA synthase (HMGS) catalyzes the first committed step in the mevalonate metabolic pathway for isoprenoid biosynthesis and serves as an alternative target for cholesterol-lowering and antibiotic drugs. We have determined a previously undescribed crystal structure of a eukaryotic HMGS bound covalently to a potent and specific inhibitor F-244 [(E,E)-11-[3-(hydroxymethyl)-4-oxo-2-oxytanyl]-3,5,7-trimethyl-2,4-undecad ienenoic acid]. Given the accessibility of synthetic analogs of the F-244 natural product, this inhibited eukaryotic HMGS structure serves as a necessary starting point for structure-based methods that may improve the potency and species-specific selectivity of the next generation of F-244 analogs designed to target particular eukaryotic and prokaryotic HMGS.
3-Hydroxy-3-methylglutaryl CoA synthase (HMGS) catalyzes the first committed step in the mevalonate metabolic pathway for isoprenoid biosynthesis and serves as an alternative target for cholesterol-lowering and antibiotic drugs. We have determined a previously undescribed crystal structure of a eukaryotic HMGS bound covalently to a potent and specific inhibitor F-244 [(E,E)-11-[3-(hydroxymethyl)-4-oxo-2-oxytanyl]-3,5,7-trimethyl-2,4-undecad ienenoic acid]. Given the accessibility of synthetic analogs of the F-244 natural product, this inhibited eukaryotic HMGS structure serves as a necessary starting point for structure-based methods that may improve the potency and species-specific selectivity of the next generation of F-244 analogs designed to target particular eukaryotic and prokaryotic HMGS.


==About this Structure==
Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.,Pojer F, Ferrer JL, Richard SB, Nagegowda DA, Chye ML, Bach TJ, Noel JP Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11491-6. Epub 2006 Jul 24. PMID:16864776<ref>PMID:16864776</ref>
2FA0 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Brassica_juncea Brassica juncea]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FA0 OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Structural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases., Pojer F, Ferrer JL, Richard SB, Nagegowda DA, Chye ML, Bach TJ, Noel JP, Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11491-6. Epub 2006 Jul 24. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16864776 16864776]
</div>
<div class="pdbe-citations 2fa0" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Brassica juncea]]
[[Category: Brassica juncea]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Ferrer, J L.]]
[[Category: Ferrer JL]]
[[Category: Noel, J P.]]
[[Category: Noel JP]]
[[Category: Pojer, F.]]
[[Category: Pojer F]]
[[Category: Richard, S B.]]
[[Category: Richard SB]]
[[Category: hmg-coa]]
[[Category: hmgs1]]
 
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