4o5t

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==Crystal structure of Diels-Alderase CE20 in complex with a product analog==
==Crystal structure of Diels-Alderase CE20 in complex with a product analog==
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<StructureSection load='4o5t' size='340' side='right' caption='[[4o5t]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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<StructureSection load='4o5t' size='340' side='right'caption='[[4o5t]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4o5t]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4O5T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4O5T FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4o5t]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Loligo_vulgaris Loligo vulgaris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4O5T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4O5T FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=XDA:4-{[2-(PHOSPHONOOXY)ETHYL]CARBAMOYL}BENZYL+[(1R,6S)-6-(DIMETHYLCARBAMOYL)CYCLOHEX-2-EN-1-YL]CARBAMATE'>XDA</scene><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]] 2.9&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3u0s|3u0s]], [[3i1c|3i1c]], [[1e1a|1e1a]], [[4o5s|4o5s]]</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=XDA:4-{[2-(PHOSPHONOOXY)ETHYL]CARBAMOYL}BENZYL+[(1R,6S)-6-(DIMETHYLCARBAMOYL)CYCLOHEX-2-EN-1-YL]CARBAMATE'>XDA</scene></td></tr>
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<tr><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'>[https://proteopedia.org/fgij/fg.htm?mol=4o5t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4o5t OCA], [https://pdbe.org/4o5t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4o5t RCSB], [https://www.ebi.ac.uk/pdbsum/4o5t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4o5t ProSAT]</span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4o5t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4o5t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4o5t RCSB], [http://www.ebi.ac.uk/pdbsum/4o5t PDBsum]</span></td></tr>
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</table>
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<table>
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== Function ==
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[https://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>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.,Preiswerk N, Beck T, Schulz JD, Milovnik P, Mayer C, Siegel JB, Baker D, Hilvert D Proc Natl Acad Sci U S A. 2014 May 20. pii: 201401073. PMID:24847076<ref>PMID:24847076</ref>
Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.,Preiswerk N, Beck T, Schulz JD, Milovnik P, Mayer C, Siegel JB, Baker D, Hilvert D Proc Natl Acad Sci U S A. 2014 May 20. pii: 201401073. PMID:24847076<ref>PMID:24847076</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 4o5t" style="background-color:#fffaf0;"></div>
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Diisopropyl-fluorophosphatase]]
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[[Category: Large Structures]]
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[[Category: Beck, T.]]
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[[Category: Loligo vulgaris]]
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[[Category: Hilvert, D.]]
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[[Category: Beck T]]
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[[Category: Mayer, C.]]
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[[Category: Hilvert D]]
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[[Category: Preiswerk, N.]]
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[[Category: Mayer C]]
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[[Category: Artificial catalyst]]
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[[Category: Preiswerk N]]
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[[Category: Beta-propeller]]
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[[Category: Catalyst for cycloaddition]]
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[[Category: Computer-aided design]]
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[[Category: De novo protein]]
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[[Category: Diels-alder reaction]]
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[[Category: Diels-alderase]]
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[[Category: Directed evolution]]
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[[Category: Enzyme design]]
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[[Category: Enzyme-product analog complexes']]
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[[Category: Helix-loop-helix]]
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[[Category: Hydrolase]]
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[[Category: Protein engineering]]
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[[Category: Substrate specificity]]
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Current revision

Crystal structure of Diels-Alderase CE20 in complex with a product analog

PDB ID 4o5t

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