A Zundel ion in the catalytic proton transfer pathway of [FeFe]-hydrogenase

2026/01/01 by Lingling Liu, Max A. Klamke, Federica Arrigoni +8 · 2 voices · 2 citations
Energy · Chemistry · #Metalloenzymes and iron-sulfur proteins #Metal-Catalyzed Oxygenation Mechanisms #Organometallic Complex Synthesis and Catalysis

paper · pdf · doi:10.1039/d5cp04267d

Abstract

[FeFe]-hydrogenases catalyze the interconversion of protons, electrons, and hydrogen. New findings suggest the presence of a Zundel ion in the proton transfer pathway that influences the active site cofactor via the vibrational Stark effect.

Cited by

• QM/MM Modeling of the Electronic Structure and Properties of the Fe–S Clusters in Desulfovibrio desulfuricans [FeFe]-Hydrogenase
• Probing the Role of Accessory Domains in Oxygen Stability of [FeFe]-Hydrogenases

Discussions

• Happy to share our new paper on proton transfer in metalloenzymes, out now in @pccp.rsc.org! Exploiting crystallography, electrochemistry, FTIR spectroscopy, and QM calculations we identified a Zunde [bsky, 12 points, 1 comments]
• "A Zundel ion in the catalytic proton transfer pathway of [FeFe]-hydrogenase" 🧑‍🔬 Liu et al. 📖 Phys. Chem. Chem. Phys. ⛓️ doi.org/10.1039/D5CP... [bsky, 3 points, 1 comments]

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