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.
Stiebritz
Martin T
MT
Laboratorium für Physikalische Chemie, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093 Zürich, Switzerland.
Reiher
Markus
M
D020134:Catalytic Domain; D006864:Hydrogenase / Q000378:metabolism*; D007700:Kinetics; D008024:Ligands; D008958:Models, Molecular; D010084:Oxidation-Reduction
D008024:Ligands; D006864:Hydrogenase