Relativistic DFT Calculations of the Paramagnetic Intermediates of [NiFe] Hydrogenase. Implications for the Enzymatic Mechanism
Author:
Affiliation:
1. Max-Volmer-Institut für Biophysikalische Chemie und Biochemie, Technische Universität Berlin Strasse des 17. Juni 135, 10623 Berlin, Germany
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja005808y
Reference27 articles.
1. Crystal structure of the nickel–iron hydrogenase from Desulfovibrio gigas
2. Structure of the [NiFe] Hydrogenase Active Site: Evidence for Biologically Uncommon Fe Ligands
3. Unusual ligand structure in Ni–Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis
4. Removal of the bridging ligand atom at the Ni–Fe active site of [NiFe] hydrogenase upon reduction with H2, as revealed by X-ray structure analysis at 1.4 Å resolution
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