Density Functional Calculations for Modeling the Active Site of Nickel−Iron Hydrogenases. 2. Predictions for the Unready and Ready States and the Corresponding Activation Processes
- 31 July 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Inorganic Chemistry
- Vol. 41 (17) , 4424-4434
- https://doi.org/10.1021/ic020016l
Abstract
No abstract availableKeywords
This publication has 32 references indexed in Scilit:
- [NiFe] hydrogenase from Desulfovibrio desulfuricans ATCC 27774: gene sequencing, three-dimensional structure determination and refinement at 1.8 Å and modelling studies of its interaction with the tetrahaem cytochrome c 3JBIC Journal of Biological Inorganic Chemistry, 2001
- 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 resolutionStructure, 1999
- The crystal structure of a reduced [NiFeSe] hydrogenase provides an image of the activated catalytic centerPublished by Elsevier ,1999
- Carbon Monoxide and Cyanide as Intrinsic Ligands to Iron in the Active Site of [NiFe]-HydrogenasesJournal of Biological Chemistry, 1999
- Mechanism of H−H Activation by Nickel−Iron HydrogenaseJournal of the American Chemical Society, 1998
- Unusual ligand structure in Ni–Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysisPublished by Elsevier ,1997
- Infrared-Spectroelectrochemical Characterization of the [NiFe] Hydrogenase ofDesulfovibrio gigasJournal of the American Chemical Society, 1997
- Biological activition of hydrogenNature, 1997
- Structure of the [NiFe] Hydrogenase Active Site: Evidence for Biologically Uncommon Fe LigandsJournal of the American Chemical Society, 1996
- Crystal structure of the nickel–iron hydrogenase from Desulfovibrio gigasNature, 1995