9t8a | pdb_00009t8a

Crystal Structure of a de novo CO2 reductase A4

spinqualitylabelsall models 9t8a, resolution 2.08Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 9t8a is a 6 chain structure with sequence from Synthetic construct. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.08Å Ligands: PEG, PG4, PG6, PGE Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT 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 (>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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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