METHOD OF DESIGNING PRIMARY STRUCTURE OF PROTEIN WITH SPECIFIED SECONDARY STRUCTURE

摘要

FIELD: chemistry.;SUBSTANCE: invention relates to computer method, which uses biochemical databases in design of novel protein compounds. Design is performed by operator by means of specially written software PROTCOM basing on application of database of protein pentafragments. Design process consists in specifying and introduction into PROTCOM software of initial sequence of five amino acids (specified initial pentafragment) and written in binary system ten-digit number, which describes secondary structure of specified initial pentafragment. Search of said sequence is performed in database fold with the number, corresponding to specified ten-digit number. Search is performed until specified initial pentafragment is found in database. After its finding, said pentafragment is considered to be the first of possible number N of pentafragments of designed primary protein structure, and it, together with ten-digit number of fold, describing its secondary structure, is recorded into the programme working file. After that, secondary structures of each following number of (N-1) pentafragments are specified by introduction of the same or changed ten-digit number, describing secondary structure of the previous pentafragment into the programme, and search is performed in database of pentafragments, containing four amino acids of each of (N-1) pentafragments, recorded in working file, and one new one. When such pentafragments are found, one of new amino acids is selected and linked to four last amino acids of the previous pentafragment, new amino acid and ten-digit number of fold, describing secondary structure of each found pentafragment are recorded into working file. Obtained in working file sequence of amino acids, with corresponding description of its secondary structure, is considered to be designed primary structure of protein.;EFFECT: claimed method of designing primary structure of protein considerably simplifies and accelerates the task of designing proteins with specified secondary structure.;5 dwg, 21 tbl, 2 ex