2026-04-13T00:09:42Zhttps://recercat.cat/oai/request

oai:recercat.cat:10256/206002024-06-18T13:57:05Zcom_2072_452955com_2072_2054col_2072_453073

00925njm 22002777a 4500 dc Knorrscheidt, Anja author Soler i Parpal, Jordi author Hünecke, Nicole author Püllmann, Pascal author Garcia Borràs, Marc author Weissenborn, Martin J. author 2021-09-21 A high throughput GC-MS approach was developed, permitting the simultaneous analysis of up to three substrates and six products quantitatively from one reaction mixture. This screening approach was applied to site-saturation libraries of the novel unspecific peroxygenaseMthUPO. Using this setup enabled substantial insights from a small mutant library. Enzyme variants were identified exhibiting selective alkene epoxidation and substantially shifted regioselectivities to 2- and 1-octanol formations. Computational modelling rationalised the observed selectivity changes M. J. W, A. K., and N. H. thank the Bundesministerium für Bildung und Forschung (“Biotechnologie 2020+ Strukturvorhaben: Leibniz Research Cluster”, 031A360B) for generous funding. P. P. thanks the Landesgraduiertenförderung Sachsen-Anhalt for a PhD scholarship. The authors thank Eugen Schell for fruitful discussions. M. G. B. thanks the Generalitat de Catalunya AGAUR for a Beatriu de Pinós H2020 MSCA-Cofund 2018-BP-00204 project, the Spanish MICINN (Ministerio de Ciencia e Innovación) for PID2019-111300GA-I00 project, and J. S. thanks the Spanish MIU (Ministerio de Universidades) for a predoctoral FPU fellowship FPU18/02380. The computer resources at MinoTauro and the Barcelona Supercomputing Center BSC-RES are acknowledged (RES-QSB-2019-3-262 0009 and RES-QSB-2020-2-0016) http://hdl.handle.net/10256/20600 Alquens Alkenes Compostos aromàtics Aromatic compounds Oxidoreductases Oxidoreductases Simultaneous screening of multiple substrates with an unspecific peroxygenase enabled modified alkane and alkene oxyfunctionalisations