Potential hydrogen bottleneck in nickel-iron hydrogenase.

abstract

• The role of two-state reactivity at the enzyme active site with respect to binding of molecular H(2) for the high- and low-spin of [NiFe] hydrogenase (Ni-SI forms) is examined by density functional theory. In addition to examination of a single H(2) molecule binding at either the Ni or Fe of the active site, the possibility that H(2) binds simultaneously at each metal center in the active site of this enzyme is examined. The concurrent binding of two molecules of H(2) suggests a potential hydrogen bottleneck in which high concentrations might lead to a decrease in the rate of hydrogen oxidation.

authors

• Hall, Michael

published proceedings

• Inorg Chem

author list (cited authors)

• Keith, J. M., & Hall, M. B.

citation count

• 28

complete list of authors

• Keith, Jason M||Hall, Michael B

publication date

• July 2010

publisher

• American Chemical Society (ACS)  Publisher

published in

• Inorganic Chemistry  Journal

keywords

• Catalytic Domain
• Hydrogen
• Hydrogenase
• Models, Molecular
• Molecular Structure
• Oxidation-Reduction
• Quantum Theory

PubMed Central ID

• 20557131

Digital Object Identifier (DOI)

• 10.1021/ic100522f

start page

• 6378

end page

• 6380

volume

• 49

issue

• 14

URL

• http://dx.doi.org/10.1021/ic100522f

user-defined tag

• 7 Affordable and Clean Energy