Patent ID: 9243238
Filing Date: 2016-01-26
CPC Classification: C12N,G16B

Claim Text:
1. A method for making an enzyme that is a hydrolase, a lyase, an isomerase, or a transferase, comprising: constructing a transition state model for a desired chemical reaction catalyzed by a hydrolase, lyase, isomerase, or a transferase, identifying reactive amino acid functional groups and functional group geometry to catalyze the chemical reaction; constructing a set of amino acid rotamers from a structural library, where the rotamers incorporate the functional groups and functional group geometry; computationally identifying a transition state model placement in a set of candidate protein backbone scaffolds by a hashing algorithm, where the position of the transition state model for the rotamers independently placed at scaffold positions is recorded in a hash table if there are no clashes with the protein backbone or catalytic side chains, and the hash table processed to extract sets of positions compatible with the functional group geometry; computationally selecting an amino acid sequence to accommodate the identified scaffold and the transition state model placement, thereby identifying a putative enzyme; and expressing the putative hydrolase, lyase, isomerase, or transferase enzyme and confirming enzymatic activity of the putative hydrolase, lyase, isomerase, or transferase enzyme.