Table 2.
Binding energies of docked compounds
| Compound | Binding energies [kcal/mol]* | |
|---|---|---|
| T. flavus hexosaminidase | S. plicatus hexosaminidase | |
| Chitobiose 1 | −10.83 ± 0.942 | −9.51 ± 0.814 |
| pNP-GlcNAc 2 | −8.72 ± 0.829 | −9.38 ± 0.716 |
| pNP-GalNAc 3 | −9.61 ± 1.137 | −9.44 ± 0.062 |
| GlcNAc 4 | −6.23 ± 0.305 | −7.37 ± 0.386 |
| pNP-GlcNAc-uronate 5 | −6.80 ± 0.463 | −6.26 ± 0.085 |
| pNP-GlcNAc-sulfate 6 | −7.02 ± 0.378 | −6.44 ± 0.332 |
*Binding energy is calculated by AutoDock and represented in the form of average energy for representaive substrate-enzyme complexes and standard deviation.