Evidence for two ferryl species in chloroperoxidase compound II

Kari L. Stone, Lee M. Hoffart, Rachel K. Behan, Carsten Krebs, Michael T. Green

Research output: Contribution to journalArticlepeer-review

80 Scopus citations


Using a combination of density functional calculations and Mössbauer spectroscopy, we have examined chloroperoxidase compound II (CPO-II), The Mössbauer spectrum of CPO-II suggests the presence of two distinct ferryl species in an ∼70:30 ratio. Density functional calculations and cryogenic reduction and annealing experiments allow us to assign the major species as an Fe(IV)OH intermediate. The Mössbauer parameters of the minor component are indicative of an authentic iron(IV)oxo species, but we have found the 70:30 ratio to be pH invariant. The unchanging ratio of component concentrations is in agreement with CPO-II's visible absorption spectrum, which shows no change over the enzyme's range of pH stability.

Original languageEnglish (US)
Pages (from-to)6147-6153
Number of pages7
JournalJournal of the American Chemical Society
Issue number18
StatePublished - May 10 2006

All Science Journal Classification (ASJC) codes

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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