Table 3.
Potential binding cavities (1–5) predicted inside Erα + (PDB ID: 3ERT) and aromatase (PDB ID: 3S79), as well as their volume, surface area, and location coordinates
| PDB ID | Cavity no. | Volume (Å3) | Surface area (Å2) | Position coordinates (Å) | ||
|---|---|---|---|---|---|---|
| X | Y | Z | ||||
| 3ERT | 1 | 364.032 | 844.8 | 34.3819 | −2.28027 | 20.3706 |
| 2 | 53.248 | 161.28 | 18.64 | −0.408305 | 24.7403 | |
| 3 | 25.088 | 106.24 | 17.3088 | −1.90375 | 3.75033 | |
| 4 | 14.848 | 60.16 | 8.1721 | 15.953 | 30.8405 | |
| 5 | 14.336 | 56.32 | 27.2598 | 10.9126 | −0.119061 | |
| 3S79 | 1 | 96.256 | 204.8 | 85.7363 | 53.9369 | 45.8998 |
| 2 | 93.184 | 362.24 | 73.3086 | 46.6916 | 32.4541 | |
| 3 | 68.096 | 244.28 | 83.5399 | 52.4483 | 58.6364 | |
| 4 | 59.392 | 202.24 | 94.9193 | 35.4838 | 36.3966 | |
| 5 | 39.936 | 161.28 | 70.1335 | 58.2242 | 49.4988 | |