METHOD FOR ASSESSING SUITABILITY OF ARTIFICIAL PROTEIN INCLUDING AMINO ACID RESIDUE DERIVED FROM NON-NATURALLY-OCCURRING AMINO ACID, FOR SYNTHESIS BY RIBOSOMES

摘要

The present invention addresses the problem of providing a method for assessing whether or not an artificial protein having a specific introduced non-naturally-occurring amino acid can be synthesized by the synthesis system provided by ribosomes. This method comprises steps a and b. (Step a): A step for performing transition state structure optimization calculation (TS optimization calculation) by a molecular orbital method or performing approximation calculation which can reproduce the transition state optimization structure, using, as an initial structure, a reaction transition state (general formula (3-1), (3-2), (3-3), (3-4), or (3-5)) in a peptidyl group transfer reaction between aminoacyl-tRNA of the non-naturally-occurring amino acid represented by general formula (1), and peptidyl-tRNA having any amino acid sequence represented by general formula (2-1) or (2-2). (Step b) A step for determining that the non-naturally-occurring amino acid has high enough suitability to be introduced into a protein in the protein synthesis system provided by ribosomes if the structure obtained as a result of step a can be assumed to be a transition state structure.