Binding information for 4ega_ligand_2_2.mol2(FDBF00055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ega_ligand_2_2.mol2 | 4ega | 1 | -5.99 | CCSC | 4 |
Structure and binding mode of 4ega_ligand_2_2.mol2(FDBF00055)
Important binding residues for 4ega_ligand_2_2.mol2(FDBF00055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ega | PRO247 | -0.81 | -0.82 | -1.63 | 0.40 | -1.23 |
| 4ega | TRP474 | -1.05 | -0.43 | -1.48 | 0.94 | -0.54 |
| 4ega | ALA477 | -0.79 | 0.07 | -0.72 | -0.38 | -1.10 |
| 4ega | LEU478 | -0.83 | 0.00 | -0.83 | 0.14 | -0.69 |
| 4ega | ILE519 | -0.63 | 0.56 | -0.07 | -0.26 | -0.33 |
| 4ega | HIS523 | -0.70 | -0.71 | -1.41 | 0.56 | -0.85 |
