Table 2 Overview of protein pocket characteristics of verteporfin and ITGA4: Vina score, pocket volume and 3D coordinates, Docking region dimensions.
ID | Vina 1 F score | Cavity 1 F volume (ų) | Center (x, y, z) | Docking size (x, y, z) |
|---|---|---|---|---|
C1 | −16.0 | 8161 | 12,22,43 | 35,35,25 |
C2 | −13.8 | 5702 | 10,65,4 | 35,32,25 |
C4 | −11.4 | 2924 | −34,41,48 | 25,25,25 |
C5 | −13.8 | 1438 | 8,45,26 | 25,25,25 |
C3 | −13.8 | 3165 | −35,45,4 | 25,25,25 |