Optimized oxidoreductases for medium and large scale industrial biotransformations
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Project Secretariat
Dr Marta Pérez-Boada
E-mail: MPBoada@cib.csic.es
Consejo Superior de Investigaciones Científicas (CSIC)
Biological Research Centre (CIB)
Calle Ramiro de Maeztu 9, E-28040 Madrid, Spain
Phone: 34 918373112
Fax: 34 915360432
Mobile: 34 650080476
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publications
Total records: 126
Pages:    1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21  

[ 2018 ] Ewing TA, van Noord A, Paul CE, van Berkel WJ A Xylenol Orange-Based Screening Assay for the Substrate Specificity of Flavin-Dependent para-Phenol Oxidases Molecules, 23: 164-182
[ 2018 ] Gygli G, de Vries RP, van Berkel WJ On the origin of vanillyl alcohol oxidases Fungal Gen. Biol., 116: 24-32
[ 2018 ] Leonhardt S, Büttner E, Gebauer AM, Hofrichter M, Kellner H Draft Genome Sequence of the Sordariomycete Lecythophora (Coniochaeta) hoffmannii CBS 245.38 Genome Announc., 6
[ 2018 ] Martínez AT, Camarero S, Ruiz-Dueñas FJ, Martínez MJ Biological Lignin Degradation Lignin Valorization: Emerging Approaches. Ed. Gregg Beckham. RSC: 199-225
[ 2018 ] Ullrich R, Poraj-Kobielska M, Scholze S, Halbout C, Sandvoss M, Pecyna MJ, Scheibner K, Hofrichter M Side chain removal from corticosteroids by unspecific peroxygenase J. Inorg. Biochem., 183: 84-93
[ 2017 ] Acebes S, Ruiz-Dueñas FJ, Toubes M, Saez-Jimenez V, Pérez-Boada M, Lucas F, Martínez AT, Guallar V Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases J. Phys. Chem. B, 121: 3946-3954
year2016
Rational Enzyme Engineering Through Biophysical and Biochemical Modeling
Acebes S, Fernandez-Fueyo E, Monza E, Lucas F, Almendral D, Ruiz-Dueñas FJ, Lund H, Martínez AT, Guallar V
ACS-Catalysis, 6: 1624-1629

Due to its importance in the pharmaceutical industry, ligand dynamic simulations have experienced a great expansion. Using all-atom models and cutting-edge hardware, one can perform nonbiased ligand migration, active site search, and binding studies. In this Letter, we demonstrate (and validate by PCR mutagenesis) how these techniques, when combined with quantum mechanics, open new possibilities in enzyme engineering. We provide a complete analysis where (1) biophysical simulations produce ligand diffusion and (2) biochemical modeling samples the chemical event. Using such broad analysis, we engineer a highly stable peroxidase activating the enzyme for new substrate oxidation after rational mutation of two nonconserved surface residues. In particular, we create a new surface-binding site, quantitatively predicting the in vitro change in oxidation rate obtained by mutagenic PCR and achieving a comparable specificity constant to active peroxidases.

Official webpage of indox [ industrialoxidoreductases ]. Optimized oxidoreductases for medium and large scale industrial biotransformations. This project has received funding from the European Union’s Seventh Framework Programme for research, technological development and demonstration under Grant Agreement nº: FP7-KBBE-2013-7-613549. © indox 2013. Developed by garcíarincón