9fd8: Difference between revisions
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==Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase, Schiff-base complex with 4-chloro-cinnamaldehyde== | |||
<StructureSection load='9fd8' size='340' side='right'caption='[[9fd8]], [[Resolution|resolution]] 1.58Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[9fd8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9FD8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9FD8 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]] 1.58Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1ICA:(~{E})-3-(4-chlorophenyl)prop-2-en-1-ol'>A1ICA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=9fd8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9fd8 OCA], [https://pdbe.org/9fd8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9fd8 RCSB], [https://www.ebi.ac.uk/pdbsum/9fd8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9fd8 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/DEOC_ECOLC DEOC_ECOLC] Catalyzes a reversible aldol reaction between acetaldehyde and D-glyceraldehyde 3-phosphate to generate 2-deoxy-D-ribose 5-phosphate. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The enzyme 2-deoxy-D-ribose-5-phosphate aldolase (DERA) naturally catalyzes the reversible aldol addition between acetaldehyde and D-glyceraldehyde-3-phosphate to yield 2-deoxy-D-ribose-5-phosphate. Herein we describe the redesign of DERA into a proficient non-natural peroxygenase that promotes the asymmetric epoxidation of various alpha,beta-unsaturated aldehydes. This repurposed aldolase, named DERA-EP, is able to utilize H(2)O(2) to accomplish both anti- and syn-selective epoxidations of various alpha,beta-unsaturated aldehydes to give the corresponding epoxides with moderate to high diastereoselectivity (diastereomeric ratio up to 99 : 1) and excellent enantioselectivity (enantiomeric ratio up to 99 : 1). Crystallographic analysis of DERA-EP in a substrate-free and substrate-bound state provides a structural context for the evolved activity, a clear explanation for the high enantioselectivity, and compelling evidence for catalysis via enzyme-bound iminium ion intermediates. The unprecedented anti-selectivity of DERA-EP with multiple alpha,beta-unsaturated aldehydes is complementary to the syn-selectivity of previously reported enzyme-, metal- and organo-catalysts, making DERA-EP an attractive new asset to the toolbox of epoxidation catalysts. | |||
Engineering 2-Deoxy-D-ribose-5-phosphate Aldolase for anti- and syn-Selective Epoxidations of alpha,beta-Unsaturated Aldehydes.,Zhou H, Kunzendorf A, Xu G, Frietema HOT, Thunnissen AWH, Poelarends GJ Angew Chem Int Ed Engl. 2025 Feb 24:e202503054. doi: 10.1002/anie.202503054. PMID:39993220<ref>PMID:39993220</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 9fd8" style="background-color:#fffaf0;"></div> | ||
[[Category: Poelarends | == References == | ||
[[Category: Thunnissen | <references/> | ||
[[Category: | __TOC__ | ||
</StructureSection> | |||
[[Category: Escherichia coli]] | |||
[[Category: Large Structures]] | |||
[[Category: Frietema HOT]] | |||
[[Category: Poelarends GJ]] | |||
[[Category: Thunnissen AMWH]] | |||
[[Category: Zhou H]] | |||
Latest revision as of 10:33, 12 March 2025
Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase, Schiff-base complex with 4-chloro-cinnamaldehyde
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