Article ID Journal Published Year Pages File Type
5385460 Chemical Physics Letters 2010 4 Pages PDF
Abstract
Here we report a DFT relativistic scalar and spin-orbit study that considers the structural optimization of the complete tungsten (V) cofactor by studying the paramagnetic site of the Pyrococcus furiosus tungsto-bispterin enzyme. The best-fit superimposed X-ray structure shows an important similarity with the aldehyde ferredoxin oxidoreductase (1AOR) structure.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
DFT-modeling of the tungsten (V) cofactor of hyperthermophilic Pyrococcus furiosus tungsto-bispterin enzyme via the calculated EPR parameters
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