Binding information for 4eg5_ligand_2_2.mol2(FDBF00057)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eg5_ligand_2_2.mol2 | 4eg5 | 1 | -5.98 | CCSC | 4 |
Structure and binding mode of 4eg5_ligand_2_2.mol2(FDBF00057)
Important binding residues for 4eg5_ligand_2_2.mol2(FDBF00057)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eg5 | PRO247 | -0.85 | -0.80 | -1.65 | 0.45 | -1.20 |
| 4eg5 | TRP474 | -0.90 | -0.38 | -1.28 | 0.85 | -0.44 |
| 4eg5 | ALA477 | -0.79 | 0.14 | -0.65 | -0.32 | -0.97 |
| 4eg5 | LEU478 | -0.68 | -0.09 | -0.77 | 0.13 | -0.65 |
| 4eg5 | HIS523 | -0.63 | -0.82 | -1.45 | 0.55 | -0.90 |
