The present invention describes identifying if a given Transaminase is (R)-Selective or (S)-Selective. Based on the binding of the substrate in the active site of a given transaminase, it is primarily based on torsion, the angle between specific atoms of the cofactor PLP and the catalytic Lysine, and the ten interactions of the substrate with the cofactor PLP and the catalytic Lysine the process can determine if the given Transaminase is (R)-Selective or (S)-Selective. On a 0° – +180° scale or 0° -180° scale or on 0° – 360° scale, angles that are specific for the two types of transaminases are defined in this embodiment. The embodiment is also described as a methodology of categorizing the bound substrate conformers as (R), (S) and non-catalytic conformers and a formula to calculate the percentage of enantiomeric excess of the product.
Patent No.: 548344
Date of grant: 22-08-2024