9T8A

Crystal Structure of a de novo CO2 reductase A4

9T8A の概要

• エントリーDOI: 10.2210/pdb9t8a/pdb
• 分子名称: A4 CO2 reductase protein, PROTOPORPHYRIN IX CONTAINING CO, TRIETHYLENE GLYCOL, ... (7 entities in total)
• 機能のキーワード: de novo co2 reductase, oxidoreductase
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 116606.00

構造登録者

Levy, C.W.,Ortmayer, M. (登録日: 2025-11-12, 公開日: 2026-07-29, 最終更新日: 2026-08-05)

主引用文献

Radley, E.J.,Andrews, A.C.,Kalvet, I.,Deng, Y.,Bell, E.L.,Levy, C.W.,Ortmayer, M.,Heyes, D.J.,Megarity, C.F.,Nunez-Franco, R.,Hutton, A.E.,Lu, Y.,Baker, D.,Green, A.P.
A De Novo CO 2 Reductase Featuring a Cysteine-Ligated Cobalt Porphyrin Cofactor.
J.Am.Chem.Soc., 148:30194-30201, 2026

PubMed Abstract: 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 CO reductases featuring a cobalt porphyrin IX (CoPPIX) cofactor. CoPPIX-containing enzymes were assembled through media supplementation with cobalt salts and assessed for photocatalytic CO reductase activity. We identified two cysteine-ligated designs that exhibit high activity (>1000 turnovers at rates of up to 25 min) while suppressing competing hydrogen evolution pathways. A 2.1 Å 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.

PubMed: 42425911
DOI: 10.1021/jacs.6c07615

実験手法

X-RAY DIFFRACTION (2.08 Å)