A unifying structural and electronic concept for Hmd and [FeFe] hydrogenase active sites.
The hydrogenases [FeFe] and Hmd feature at first sight rather different active sites. A closer inspection reveals striking similarities, which allow us to define swapped ligand spheres in such a way that the single active iron center of Hmd functions in a first-shell ligand environment resembling the reacting iron atom in [FeFe] hydrogenase and vice versa. These redesigned ligand environments can be conveniently studied with quantum chemical methods and point to general reactivity principles for iron centers with hydrogenase activity.
Laboratorium für Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093 Zürich, Switzerland.
Martin T
MT
Stiebritz
Markus
M
Reiher
D020134:Catalytic Domain; D006864:Hydrogenase / Q000378:metabolism*; D007700:Kinetics; D008024:Ligands; D008958:Models, Molecular; D010084:Oxidation-Reduction
D008024:Ligands; D006864:Hydrogenase