Binding information for 4eo8_ligand_1_1.mol2(FDBF01038)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eo8_ligand_1_1.mol2 | 4eo8 | 1 | -6.04 | C#CC(C)(C)C | 6 |
Structure and binding mode of 4eo8_ligand_1_1.mol2(FDBF01038)
Important binding residues for 4eo8_ligand_1_1.mol2(FDBF01038)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eo8 | LEU419 | -0.96 | -0.08 | -1.04 | 0.00 | -1.03 |
| 4eo8 | MET423 | -0.64 | 0.06 | -0.58 | 0.10 | -0.49 |
| 4eo8 | ILE482 | -1.13 | -0.19 | -1.32 | 0.16 | -1.16 |
| 4eo8 | VAL485 | -0.69 | 0.01 | -0.68 | 0.13 | -0.55 |
| 4eo8 | ALA486 | -0.83 | 0.01 | -0.82 | -0.05 | -0.87 |
| 4eo8 | LEU489 | -0.54 | 0.06 | -0.48 | -0.00 | -0.49 |
| 4eo8 | LEU497 | -0.92 | -0.06 | -0.98 | -0.01 | -0.99 |
