Structural data files (PDB) of PETase variants. Data used in the article "Engineering Thermostable PETases by Site-directed Mutagenesis: An In Silico Approach For Enzymatic Recycling Of PET".

This dataset consists of eight PETase variants that, through point mutations, could theoretically reduce the folding free energy (ΔG) and consequently increase the melting temperature (Tm). If the mutant proteins are active at elevated temperatures, they would hypothetically decompose PET with greater yield due to increased permeability of the polymer structure. The selected variants were analyzed using extensive molecular dynamics simulations, allowing for the evaluation of energetic and conformational stability through in silico indicators.