Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3

Marion Jespersen; Christian Lorent; Olivier N. Lemaire; Ingo Zebger; Tristan Wagner

doi:10.1002/cbic.202500692

Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3

Marion Jespersen (Leading Author), Christian Lorent (Leading Author), Olivier N. Lemaire, Ingo Zebger (Leading Author), Tristan Wagner (Leading Author)

Research output: Contribution to journal › Article › Research › peer-review

Abstract

Hydrogenases catalyze reversible H₂ production and are potential models for renewable energy catalysts. Here, the full redox landscape of a group 3 [NiFe]-hydrogenase from methanothermococcus thermolithotrophicus is elucidated, resembling group 1 enzymes. Structural and spectroscopic analyses reveal a catalytic-ready state with nickel seesaw coordination, enabling intermediate trapping and advancing mechanistic understanding of oxygen-sensitive [NiFe] enzymes.

Original language	English
Article number	e202500692
Number of pages	7
Journal	ChemBioChem
Volume	26
Issue number	21
DOIs	https://doi.org/10.1002/cbic.202500692
Publication status	Published - 8 Nov 2025
Externally published	Yes

Keywords

electron paramagnetic resonance spectroscopy
F-reducing [NiFe]-hydrogenase
hydrogen activation
thermophilic methanogen
vibrational spectroscopy
X-ray crystallography

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This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1002/cbic.202500692Licence: CC BY

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title = "Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3",

abstract = "Hydrogenases catalyze reversible H2 production and are potential models for renewable energy catalysts. Here, the full redox landscape of a group 3 [NiFe]-hydrogenase from methanothermococcus thermolithotrophicus is elucidated, resembling group 1 enzymes. Structural and spectroscopic analyses reveal a catalytic-ready state with nickel seesaw coordination, enabling intermediate trapping and advancing mechanistic understanding of oxygen-sensitive [NiFe] enzymes.",

keywords = "electron paramagnetic resonance spectroscopy, F-reducing [NiFe]-hydrogenase, hydrogen activation, thermophilic methanogen, vibrational spectroscopy, X-ray crystallography",

author = "Marion Jespersen and Christian Lorent and Lemaire, \{Olivier N.\} and Ingo Zebger and Tristan Wagner",

note = "Publisher Copyright: {\textcopyright} 2025 The Author(s). ChemBioChem published by Wiley-VCH GmbH.",

year = "2025",

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doi = "10.1002/cbic.202500692",

language = "English",

volume = "26",

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T1 - Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3

AU - Lemaire, Olivier N.

A2 - Jespersen, Marion

A2 - Lorent, Christian

A2 - Zebger, Ingo

A2 - Wagner, Tristan

PY - 2025/11/8

Y1 - 2025/11/8

N2 - Hydrogenases catalyze reversible H2 production and are potential models for renewable energy catalysts. Here, the full redox landscape of a group 3 [NiFe]-hydrogenase from methanothermococcus thermolithotrophicus is elucidated, resembling group 1 enzymes. Structural and spectroscopic analyses reveal a catalytic-ready state with nickel seesaw coordination, enabling intermediate trapping and advancing mechanistic understanding of oxygen-sensitive [NiFe] enzymes.

AB - Hydrogenases catalyze reversible H2 production and are potential models for renewable energy catalysts. Here, the full redox landscape of a group 3 [NiFe]-hydrogenase from methanothermococcus thermolithotrophicus is elucidated, resembling group 1 enzymes. Structural and spectroscopic analyses reveal a catalytic-ready state with nickel seesaw coordination, enabling intermediate trapping and advancing mechanistic understanding of oxygen-sensitive [NiFe] enzymes.

KW - electron paramagnetic resonance spectroscopy

KW - F-reducing [NiFe]-hydrogenase

KW - hydrogen activation

KW - thermophilic methanogen

KW - vibrational spectroscopy

KW - X-ray crystallography

UR - https://www.scopus.com/pages/publications/105018725338

U2 - 10.1002/cbic.202500692

DO - 10.1002/cbic.202500692

M3 - Article

C2 - 41078086

AN - SCOPUS:105018725338

SN - 1439-4227

VL - 26

JO - ChemBioChem

JF - ChemBioChem

IS - 21

M1 - e202500692

ER -

Structural and Spectroscopic Insights into Catalytic Intermediates of a [NiFe]-hydrogenase from Group 3

Abstract

Keywords

UN SDGs

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