Implications for the mechanism of sulfite oxidizing enzymes from pulsed EPR spectroscopy and DFT calculations for "difficult" nuclei.
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SUBMITTER: Enemark JH
PROVIDER: S-EPMC3079391 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
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Implications for the mechanism of sulfite oxidizing enzymes from pulsed EPR spectroscopy and DFT calculations for "difficult" nuclei.
Enemark John H JH Raitsimring Arnold M AM Astashkin Andrei V AV Klein Eric L EL
Faraday discussions 20110101
The catalytic mechanisms of sulfite oxidizing enzymes (SOEs) have been investigated by multi-frequency pulsed EPR measurements of "difficult" magnetic nuclei (35.37Cl, 33S, 17O) associated with the Mo(v) center. Extensive DFT calculations have been used to relate the experimental magnetic resonance parameters of these nuclei to specific active site structures. This combined spectroscopic and computational approach has provided new insights concerning the structure/function relationships of the a ...[more]
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