3u0s

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[[Image:3u0s.png|left|200px]]
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==Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6==
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<StructureSection load='3u0s' size='340' side='right' caption='[[3u0s]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3u0s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Loligo_vulgaris Loligo vulgaris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U0S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U0S FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1e1a|1e1a]], [[3i1c|3i1c]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">DFPASE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6622 Loligo vulgaris])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Diisopropyl-fluorophosphatase Diisopropyl-fluorophosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.8.2 3.1.8.2] </span></td></tr>
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<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=3u0s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u0s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u0s RCSB], [http://www.ebi.ac.uk/pdbsum/3u0s PDBsum]</span></td></tr>
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</table>
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== Function ==
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[[http://www.uniprot.org/uniprot/DFPA_LOLVU DFPA_LOLVU]] Biological function and substrate unknown. However, it is capable of acting on phosphorus anhydride bonds (such as phosphorus-halide and phosphorus-cyanide) in organophosphorus compounds (including nerve gases).<ref>PMID:15966726</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Computational enzyme design holds promise for the production of renewable fuels, drugs and chemicals. De novo enzyme design has generated catalysts for several reactions, but with lower catalytic efficiencies than naturally occurring enzymes. Here we report the use of game-driven crowdsourcing to enhance the activity of a computationally designed enzyme through the functional remodeling of its structure. Players of the online game Foldit were challenged to remodel the backbone of a computationally designed bimolecular Diels-Alderase to enable additional interactions with substrates. Several iterations of design and characterization generated a 24-residue helix-turn-helix motif, including a 13-residue insertion, that increased enzyme activity &gt;18-fold. X-ray crystallography showed that the large insertion adopts a helix-turn-helix structure positioned as in the Foldit model. These results demonstrate that human creativity can extend beyond the macroscopic challenges encountered in everyday life to molecular-scale design problems.
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{{STRUCTURE_3u0s| PDB=3u0s | SCENE= }}
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Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.,Eiben CB, Siegel JB, Bale JB, Cooper S, Khatib F, Shen BW, Players F, Stoddard BL, Popovic Z, Baker D Nat Biotechnol. 2012 Jan 22;30(2):190-2. doi: 10.1038/nbt.2109. PMID:22267011<ref>PMID:22267011</ref>
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===Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_22267011}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[3u0s]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Loligo_vulgaris Loligo vulgaris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U0S OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:022267011</ref><ref group="xtra">PMID:020647463</ref><ref group="xtra">PMID:011435114</ref><references group="xtra"/>
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[[Category: Diisopropyl-fluorophosphatase]]
[[Category: Diisopropyl-fluorophosphatase]]
[[Category: Loligo vulgaris]]
[[Category: Loligo vulgaris]]
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[[Category: Bale, J B.]]
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[[Category: Bale, J B]]
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[[Category: Shen, B W.]]
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[[Category: Shen, B W]]
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[[Category: Stoddard, B L.]]
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[[Category: Stoddard, B L]]
[[Category: Active site redesign]]
[[Category: Active site redesign]]
[[Category: Beta-propeller]]
[[Category: Beta-propeller]]

Revision as of 09:39, 25 December 2014

Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6

3u0s, resolution 2.60Å

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