Table 4 Overview of protein pocket characteristics of ginsenoside Rh1 and ITGA4: Vina score, pocket volume and 3D coordinates, Docking region dimensions.
CurPocket ID | Vina score | Cavity 1 volume (ų) | Center (x, y, z) | Docking size (x, y, z) |
|---|---|---|---|---|
C2 | −10.2 | 5702 | 10,65,4 | 35,32,25 |
C5 | −9.4 | 1438 | 8,45,26 | 25,25,25 |
C4 | −8.0 | 2924 | −34,41,48 | 25,25,25 |
C3 | −7.8 | 3165 | −35,45,4 | 25,25,25 |
C1 | −5.8 | 8161 | 12,22,43 | 35,35,25 |