3hlc: Difference between revisions

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-{{STRUCTURE_3hlc|  PDB=3hlc  |  SCENE=  }}
+==Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded==
-===Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded===
+<StructureSection load='3hlc' size='340' side='right' caption='[[3hlc]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
-{{ABSTRACT_PUBMED_19875080}}
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3hlc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_terreus Aspergillus terreus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HLC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HLC FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3hl9|3hl9]], [[3hlb|3hlb]], [[3hld|3hld]]</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3hlc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hlc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hlc RCSB], [http://www.ebi.ac.uk/pdbsum/3hlc PDBsum]</span></td></tr>
+</table>
+== 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/hl/3hlc_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/chain_selection.php?pdb_ID=2ata ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Enzymes from natural product biosynthetic pathways are attractive candidates for creating tailored biocatalysts to produce semisynthetic pharmaceutical compounds. LovD is an acyltransferase that converts the inactive monacolin J acid (MJA) into the cholesterol-lowering lovastatin. LovD can also synthesize the blockbuster drug simvastatin using MJA and a synthetic alpha-dimethylbutyryl thioester, albeit with suboptimal properties as a biocatalyst. Here we used directed evolution to improve the properties of LovD toward semisynthesis of simvastatin. Mutants with improved catalytic efficiency, solubility, and thermal stability were obtained, with the best mutant displaying an approximately 11-fold increase in an Escherichia coli-based biocatalytic platform. To understand the structural basis of LovD enzymology, seven X-ray crystal structures were determined, including the parent LovD, an improved mutant G5, and G5 cocrystallized with ligands. Comparisons between the structures reveal that beneficial mutations stabilize the structure of G5 in a more compact conformation that is favorable for catalysis.
-==About this Structure==
+Directed evolution and structural characterization of a simvastatin synthase.,Gao X, Xie X, Pashkov I, Sawaya MR, Laidman J, Zhang W, Cacho R, Yeates TO, Tang Y Chem Biol. 2009 Oct 30;16(10):1064-74. PMID:19875080<ref>PMID:19875080</ref>
-[[3hlc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspergillus_terreus Aspergillus terreus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HLC OCA].
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
 ==See Also==
 *[[Simvastatin Synthase|Simvastatin Synthase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:019875080</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Aspergillus terreus]]
-[[Category: Gao, X.]]
+[[Category: Gao, X]]
-[[Category: Laidman, J.]]
+[[Category: Laidman, J]]
-[[Category: Pashkov, I.]]
+[[Category: Pashkov, I]]
-[[Category: Sawaya, M R.]]
+[[Category: Sawaya, M R]]
-[[Category: Tang, Y.]]
+[[Category: Tang, Y]]
-[[Category: Yeates, T O.]]
+[[Category: Yeates, T O]]
 [[Category: Alpha/beta hydrolase fold]]
 [[Category: Transferase]]