Table 1 Different binding sites and binding energies of Astragaloside IV and STING
Mode | Affinity | Dist from best mode | |
|---|---|---|---|
(kcal/mol) | rmsd l.b | rmsd u.b | |
1 | − 10.0 | 0.000 | 0.000 |
2 | − 9.9 | 1.194 | 2.148 |
3 | − 9.9 | 1.304 | 1.923 |
4 | − 8.9 | 4.134 | 9.861 |
5 | − 8.6 | 3.820 | 9.884 |
6 | − 8.5 | 2.939 | 9.123 |
7 | − 8.4 | 4.750 | 9.046 |
8 | − 8.3 | 3.681 | 10.427 |
9 | − 8.2 | 4.910 | 10.033 |
10 | − 8.1 | 3.604 | 5.107 |
11 | − 8.1 | 4.517 | 10.169 |
12 | − 7.8 | 4.418 | 8.188 |
13 | − 7.8 | 3.470 | 5.885 |
14 | − 7.7 | 5.392 | 10.279 |
15 | − 7.7 | 1.972 | 2.949 |
16 | − 7.6 | 21.821 | 25.631 |
17 | − 7.4 | 4.389 | 6.973 |
18 | − 7.3 | 21.619 | 24.475 |
19 | − 7.3 | 21.078 | 24.510 |
20 | − 7.3 | 5.554 | 13.448 |