Computational Redesign of an ω-Transaminase from <i>Pseudomonas jessenii</i> for Asymmetric Synthesis of Enantiopure Bulky Amines
Qinglong Meng, Carlos Ramírez-Palacios, Nikolas Capra, Mattijs E. Hooghwinkel, Sebastian Thallmair, H.J. Rozeboom, A.M.W.H. Thunnissen, Hein J. Wijma, Siewert J. Marrink, Dick B. Janssen
Abstract
TA-R6 redesign. Crystal structures of the two best variants confirmed the computationally predicted structures. The results show that computational design can be an efficient approach to rapidly expand the substrate scope of ω-TAs to produce enantiopure bulky amines.
Topics & Concepts
IsopropylamineBiocatalysisEnantiopure drugEnantiomeric excessChemistryThermostabilitySteric effectsAmine gas treatingStereochemistrySubstrate (aquarium)Combinatorial chemistryActive siteProtein engineeringOrganic chemistryEnantioselective synthesisCatalysisReaction mechanismEnzymeBiologyEcologyEnzyme Catalysis and ImmobilizationCarbohydrate Chemistry and SynthesisChemical Synthesis and Analysis