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dc.contributor.authorMolina-Espeja, Patricia
dc.contributor.authorCañellas, Marina
dc.contributor.authorPlou, Francisco J.
dc.contributor.authorHofrichter, Martin
dc.contributor.authorLucas, Fatima
dc.contributor.authorGuallar, Victor
dc.contributor.authorAlcalde, Miguel
dc.contributor.otherBarcelona Supercomputing Center
dc.date.accessioned2016-03-11T11:41:16Z
dc.date.available2017-01-21T01:30:27Z
dc.date.issued2016-01-21
dc.identifier.citationMolina-Espeja, Patricia [et al.]. Synthesis of 1‐Naphthol by a Natural Peroxygenase engineered by Directed Evolution. "ChemBioChem", 21 Gener 2016, vol. 17, núm. 4, p. 341-349.
dc.identifier.issn1439-4227
dc.identifier.urihttp://hdl.handle.net/2117/84202
dc.descriptionThis is the peer reviewed version of the following article, which has been published in final form at 10.1002/cbic.201500493. This article may be used for non-commercial purposes in accordance With Wiley-VCH Terms and Conditions for self-archiving
dc.description.abstractThere is an increasing interest in enzymes that catalyze the hydroxylation of naphthalene under mild conditions and with minimal requirements. To address this challenge, an extracellular fungal aromatic peroxygenase with mono(per)oxygenase activity was engineered to convert naphthalene selectively into 1-naphthol. Mutant libraries constructed by random mutagenesis and DNA recombination were screened for peroxygenase activity on naphthalene together with quenching of the undesired peroxidative activity on 1-naphthol (one-electron oxidation). The resulting double mutant (G241D-R257K) obtained from this process was characterized biochemically and computationally. The conformational changes produced by directed evolution improved the substrate's catalytic position. Powered exclusively by catalytic concentrations of H2O2, this soluble and stable biocatalyst has a total turnover number of 50 000, with high regioselectivity (97 %) and reduced peroxidative activity.
dc.description.sponsorshipWe thank Paloma Santos Moriano (ICP, CSIC, Spain) for assistance with the HPLC and LC/MS analysis, and Jesper Vind (Novozymes, Denmark) and Angel T. Martinez (CIB, CSIC, Spain) for helpful discussions. This work was supported by the European Commission projects Indox-FP7-KBBE-2013-7-613549 and Cost-Action CM1303-Systems Biocatalysis, and the National Projects Dewry [BIO201343407-R], Cambios [RTC-2014-1777-3] and OXYdesign [CTQ2013-48287-R].
dc.format.extent9 p.
dc.language.isoeng
dc.publisherWiley-VCH
dc.subjectÀrees temàtiques de la UPC::Enginyeria mecànica::Impacte ambiental
dc.subject.lcshEnzymes
dc.subject.lcshOxidation
dc.subject.other1-naphthol
dc.subject.otherDirected evolution
dc.subject.otherEnzyme catalysis
dc.subject.otherPeroxidative activity
dc.subject.otherPeroxygenases
dc.titleSynthesis of 1‐Naphthol by a Natural Peroxygenase engineered by Directed Evolution
dc.typeArticle
dc.subject.lemacEnzims
dc.identifier.doi10.1002/cbic.201500493
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttp://onlinelibrary.wiley.com/doi/10.1002/cbic.201500493/abstract
dc.rights.accessOpen Access
dc.description.versionPostprint (author's final draft)
dc.relation.projectidinfo:eu-repo/grantAgreement/EC/FP7/613549/EU/Optimized oxidoreductases for medium and large scale industrial biotransformations/INDOX
dc.relation.projectidinfo:eu-repo/grantAgreement/MINECO//BIO2013-43407-R/ES/EVOLUCION DIRIGIDA DE OXIDOREDUCTASAS LIGNINOLITICAS MODERNAS Y ANCESTRALES PARA EL DISEÑO DE UNA LEVADURA DE PODREDUMBRE BLANCA/
dc.relation.projectidinfo:eu-repo/grantAgreement/MICINN//BIO2011-26694/ES/BUSQUEDA E INGENIERIA DE NUEVAS PEROXIDASAS FUNGICAS DE ALTO POTENCIAL REDOX/
dc.relation.projectidinfo:eu-repo/grantAgreement/MINECO//CTQ2013-48287-R/ES/DISENYO COMPUTACIONAL RACIONAL DE OXIDOREDUCTASAS PARA APLICACIONES INDUSTRIALES Y TECNOLOGICAS/
dc.relation.projectidinfo:eu-repo/grantAgreement/MINECO/RTC-2014-1777-3
local.citation.publicationNameChemBioChem
local.citation.volume17
local.citation.number4
local.citation.startingPage341
local.citation.endingPage349


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