Table 2 The binding free energy (kcal/mol) of WT-MYR, N82A, S84A, N112A-MYR, and D179-MYR systems based on computational method and the values of the binding constants (K A ) based on the fluorescence spectroscopy quenching.
From: Investigation of the inhibition effect and mechanism of myricetin to Suilysin by molecular modeling
| Â | WT-SLY | N82A | S84A | N112A | D179A |
|---|---|---|---|---|---|
computational method | −14.87 ± 1.24 | −11.26 ± 1.16 | −9.97 ± 1.04 | −10.54 ± 1.01 | −8.54 ± 1.01 |
K A (1 × 104) L·mol−1 | 7.39 ± 0.80 | 6.82 ± 0.91 | 5.12 ± 0.75 | 5.78 ± 0.91 | −3.85 ± 0.81 |
