Binding information for 4eg7_ligand_2_2.mol2(FDBF00055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg7_ligand_2_2.mol2 | 4eg7 | 1 | -5.95 | S(C)CC | 4 |
Structure and binding mode of 4eg7_ligand_2_2.mol2(FDBF00055)
Important binding residues for 4eg7_ligand_2_2.mol2(FDBF00055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg7 | PRO247 | -0.81 | -0.77 | -1.58 | 0.33 | -1.24 |
| 4eg7 | TRP474 | -0.85 | -0.46 | -1.31 | 0.97 | -0.34 |
| 4eg7 | ALA477 | -0.80 | 0.18 | -0.62 | -0.37 | -0.99 |
| 4eg7 | LEU478 | -0.82 | 0.02 | -0.8 | 0.11 | -0.70 |
| 4eg7 | ILE519 | -0.68 | 0.55 | -0.13 | -0.27 | -0.40 |
| 4eg7 | HIS523 | -0.64 | -0.79 | -1.43 | 0.60 | -0.82 |
