{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Ledray AP"],"funding":["U.S. Department of Energy","Argonne National Laboratory","Office of Science","National Institutes of Health","NIGMS NIH HHS"],"pagination":["111548"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11890179"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["224"],"pubmed_abstract":["The protonation state of ascorbate peroxidase compound II (APX-II) has been a subject of debate. A combined X-ray/neutron crystallographic study reported that APX-II is best described as an iron(IV)hydroxide species with an FeO distance of 1.88 Å (Kwon, et al. Nat Commun2016, 7, 13,445), while X-ray absorption spectroscopy (XAS) experiments (utilizing extended X-ray absorption fine structure (EXAFS) and pre-edge analyses) indicate APX-II is an authentic iron(IV)oxo species with an FeO distance 1.68 Å (Ledray, et al. Journal of the American Chemical Society2020,142, 20,419). Previous debates concerning ferryl protonation states have been resolved through the application of Badger's rule, which correlates FeO bond distances with FeO vibrational frequencies. To obtain the required vibrational"],"journal":["Journal of inorganic biochemistry"],"pubmed_title":["NRVS investigation of ascorbate peroxidase compound II: Observation of Iron(IV)oxo stretching."],"pmcid":["PMC11890179"],"funding_grant_id":["R01-GM101390","DE-AC02-06CH11357","R01 GM101390"],"pubmed_authors":["Green MT","Mittra K","Ledray AP"],"additional_accession":[]},"is_claimable":false,"name":"NRVS investigation of ascorbate peroxidase compound II: Observation of Iron(IV)oxo stretching.","description":"The protonation state of ascorbate peroxidase compound II (APX-II) has been a subject of debate. A combined X-ray/neutron crystallographic study reported that APX-II is best described as an iron(IV)hydroxide species with an FeO distance of 1.88 Å (Kwon, et al. Nat Commun2016, 7, 13,445), while X-ray absorption spectroscopy (XAS) experiments (utilizing extended X-ray absorption fine structure (EXAFS) and pre-edge analyses) indicate APX-II is an authentic iron(IV)oxo species with an FeO distance 1.68 Å (Ledray, et al. Journal of the American Chemical Society2020,142, 20,419). Previous debates concerning ferryl protonation states have been resolved through the application of Badger's rule, which correlates FeO bond distances with FeO vibrational frequencies. To obtain the required vibrational","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Nov","modification":"2025-04-22T20:52:50.262Z","creation":"2025-04-06T03:21:09.863Z"},"accession":"S-EPMC11890179","cross_references":{"pubmed":["34481347"],"doi":["10.1016/j.jinorgbio.2021.111548"]}}