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CAIRA: Catalytic associated irregular residue analyser

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Oct 29, 2024 version files 1.17 MB

Abstract

For the semi-automated identification of potential cleavage specificity-modulating SNVs we developed a program, called CAIRA (Catalytic Associated Irregular Residue Analyser). Entering the UniProt ID of a protease, CAIRA takes the predicted AlphaFold structure, generates a user-definable radius (e.g. 20 Å) around the active site and filters the COSMIC database for cancer-associated SNVs within this radius, which might have cleavage specificity-modulating effects. CAIRA can be used with all types of proteases (metallo, serine, aspartyl and cysteine proteases). To further assess their potential impact, SNV-affected amino acids are labelled in the protein structure of a downloadable pdb-file.