Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/6065
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dc.contributor.authorBernini, Caterinaen_us
dc.contributor.authorPogni, Rebeccaen_us
dc.contributor.authorBasosi, Riccardoen_us
dc.contributor.authorSinicropi, Adalgisaen_us
dc.date.accessioned2021-03-30T15:59:22Z-
dc.date.available2021-03-30T15:59:22Z-
dc.date.issued2012-
dc.identifier.issn0887-3585en_US
dc.identifier.urihttp://hdl.handle.net/20.500.12779/6065-
dc.description40055en_US
dc.description.abstractA catalytically active tryptophan radical has been demonstrated to be involved in the long-range electron transfer to the heme cofactor of lignin peroxidase (LiP) from Phanerochaete chrysosporium although no direct detection by EPR spectroscopy of the tryptophan radical intermediate has been reported to date. An engineering-based approach has been used to manipulate the microenvironment of the redox-active tryptophan site in LiP and Coprinus cinereus Peroxidase (CiP), allowing the direct evidence of the tryptophan radical species. In light of the newly available EPR experimental data, we performed a quantum mechanical/molecular mechanics computational study to characterize the tryptophan radicals in the above protein matrices as well as in pristine LiP. The nature of the tryptophan radicals is discussed together with the analysis of their environment with the aim of understanding the different behavior of pristine LiP in comparison with that of LiP and CiP variants.en_US
dc.language.isoenen_US
dc.relationNoneen_US
dc.relation.ispartofPROTEINSen_US
dc.subjecthyperfine coupling constants; g-tensors; EPR; DFT; enzymeen_US
dc.titleThe nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: insights from quantum mechanical/molecular mechanics simulationsen_US
dc.typeArticleen_US
dc.identifier.doi10.1002/prot.24046en_US
dc.identifier.pmid22383280en_US
dc.identifier.scopus2-s2.0-84859440124en_US
dc.identifier.isiWOS:000302541900019en_US
dc.identifier.urlhttp://onlinelibrary.wiley.com/doi/10.1002/prot.24046/abstracten_US
dc.relation.volume80en_US
dc.relation.issue5en_US
dc.description.firstpage1476en_US
dc.description.lastpage1483en_US
dc.description.thirdmissionNot applicableen_US
item.cerifentitytypePublications-
item.grantfulltextnone-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypeArticle-
item.fulltextNo Fulltext-
crisitem.author.orcid0000-0001-6681-1592-
crisitem.author.orcid0000-0003-1026-7668-
crisitem.author.orcid0000-0001-5605-6482-
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