Table 4. Molecular docking energies of ASNases.
ASNase | Free energy binding (kcal/mol) | Inter-molecular energy (kcal/mol) | Van der Waals—hydrogen bonds (kcal/mol) | Electrostatic energy (kcal/mol) |
Hydrogen bonds |
---|---|---|---|---|---|
E. coli EcAII; tetramer | −9.81 | −11.30 | −5.88 | −3.61 | 9 |
E. coli EcAII; monomer | −8.46 | −9.95 | −7.02 | −2.35 | 6 |
S. scabrisporus WP_078980718.1 – site A | −6.67 | −8.17 | −5.25 | −2.91 | 6 |
S. scabrisporus WP_078980718.1 – site B | −4.62 | −6.11 | −4.39 | −1.72 | 2 |