title: Stereoelectronic effects in the reaction of aromatic substrates catalysed by Halomonas elongata transaminase and its mutants.
abstract: A transaminase from Halomonas elongata and four mutants generated by an in silico-based design were recombinantly produced in E. coli, purified and applied to the amination of mono-substituted aromatic carbonyl-derivatives. While benzaldehyde derivatives were excellent substrates, only NO2-acetophenones were transformed into the (S)-amine with a high enantioselectivity. The different behaviour of wild-type and mutated transaminases was assessed by in silico substrate binding mode studies.
authors.affiliation: UCD School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland and Department of Food Environmental and Nutritional Sciences (DeFENS), Università degli Studi di Milano, Via Mangiagalli 25, 20133, Milan, Italy. francesco.molinari@unimi.it.
authors.forename: Martina Letizia
authors.initials: ML
authors.lastname: Contente
authors.affiliation: UCD School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland.
authors.forename: Matteo
authors.initials: M
authors.lastname: Planchestainer
authors.affiliation: Department of Food Environmental and Nutritional Sciences (DeFENS), Università degli Studi di Milano, Via Mangiagalli 25, 20133, Milan, Italy. francesco.molinari@unimi.it.
authors.forename: Francesco
authors.initials: F
authors.lastname: Molinari
authors.affiliation: UCD School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland and School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK. Francesca.paradisi@nottingham.ac.uk.
authors.forename: Francesca
authors.identifier: http://orcid.org/0000-0003-1704-0642
authors.initials: F
authors.lastname: Paradisi
mesh_terms: D000098:Acetophenones / Q000378:metabolism; D001426:Bacterial Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D002384:Catalysis; D003198:Computer Simulation; D020632:Halomonas / Q000201:enzymology*; D008958:Models, Molecular; D009154:Mutation; D013237:Stereoisomerism; D000637:Transaminases / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism*
chemical_list: D000098:Acetophenones; D001426:Bacterial Proteins; C001972:4-nitroacetophenone; D000637:Transaminases