View source for 9t8a


==Crystal Structure of a de novo CO2 reductase A4==
<StructureSection load='9t8a' size='340' side='right'caption='[[9t8a]], [[Resolution|resolution]] 2.08&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9t8a]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9T8A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9T8A 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]] 2.08&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene>, <scene name='pdbligand=PG6:1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE'>PG6</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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=9t8a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9t8a OCA], [https://pdbe.org/9t8a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9t8a RCSB], [https://www.ebi.ac.uk/pdbsum/9t8a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9t8a ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Modern protein design methods based on deep learning allow generation of customized protein scaffolds with diverse geometries and functionalities. Here we capitalize on these recent advances to develop hyper-thermostable de novo CO(2) reductases featuring a cobalt porphyrin IX (CoPPIX) cofactor. CoPPIX-containing enzymes were assembled in vivo through media supplementation with cobalt salts and assessed for photocatalytic CO(2) reductase activity. We identified two cysteine-ligated designs that exhibit high activity (&gt;1000 turnovers at rates of up to 25 min(-1)) while suppressing competing hydrogen evolution pathways. A 2.1 A crystal structure shows close agreement to the design model with the Co-Cys bond programmed as intended. This study showcases the power of computational protein design in developing artificial enzymes to activate challenging molecules such as CO(2).

A De Novo CO(2) Reductase Featuring a Cysteine-Ligated Cobalt Porphyrin Cofactor.,Radley EJ, Andrews AC, Kalvet I, Deng Y, Bell EL, Levy CW, Ortmayer M, Heyes DJ, Megarity CF, Nunez-Franco R, Hutton AE, Lu Y, Baker D, Green AP J Am Chem Soc. 2026 Jul 22;148(28):30194-30201. doi: 10.1021/jacs.6c07615. Epub , 2026 Jul 9. PMID:42425911<ref>PMID:42425911</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9t8a" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Synthetic construct]]
[[Category: Levy CW]]
[[Category: Ortmayer M]]