摘要 : Ficin is actively used in the food industry like as brewing, baking, in the manufacture of meat and fish products, has potential properties for effective use in medicine and pharmacology, so a deeper study of the structure of the ... 展开 Ficin is actively used in the food industry like as brewing, baking, in the manufacture of meat and fish products, has potential properties for effective use in medicine and pharmacology, so a deeper study of the structure of the enzyme molecule is needed. Knowledge of the spatial structure of the enzyme makes it possible to understand and predict the behavior of the biocatalyst in various technological processes. Reconstruction of the spatial structure of the plant protease ficin (EC 3.4.22.3) from Pisum sativum (GenBank: AAB41816.1) was performed using high-performance computer modeling. The molecular structure of papain from Carica papaya (PDB ID: 9PAP) was used as a model for a similar homologous protein from which the reconstruction was carried out. The reconstructed enzyme model was compared with the deposited ficin structure (PDB ID: 4YYU). The search for ficin homologs (EC 3.4.22.3) from Pisum sativum (GenBank: AAB41816.1) was performed using the FASTA and PSI-BLAST servers in the PDB protein structure database. Multiple alignment was performed using the CLUSTALW server. Alignment calculations and visualization were performed using the UGENE 1.25 bioinformatics package. After processing the initial data, the resulting structure was optimized and relaxed in the AMBER96 force field for 100 picoseconds. The protocol of the method for obtaining a model is given in detail, which can be used both for scientific and educational purposes. 收起