Binding information for 4fc0_ligand_1_5.mol2(FDBF07652)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fc0_ligand_1_5.mol2 | 4fc0 | 0.75 | -5.85 | C(C)(C)(C#N)O | 6 |
Structure and binding mode of 4fc0_ligand_1_5.mol2(FDBF07652)
Important binding residues for 4fc0_ligand_1_5.mol2(FDBF07652)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fc0 | VAL503 | -0.54 | -0.13 | -0.67 | -0.14 | -0.81 |
| 4fc0 | LEU504 | -0.43 | 0.06 | -0.37 | -0.11 | -0.48 |
| 4fc0 | ILE512 | -0.35 | -0.37 | -0.72 | 0.29 | -0.43 |
| 4fc0 | LEU566 | -0.87 | -0.19 | -1.06 | 0.24 | -0.82 |
| 4fc0 | HIS573 | -1.54 | -1.02 | -2.56 | 1.42 | -1.14 |
| 4fc0 | ILE591 | -0.54 | 0.24 | -0.3 | -0.40 | -0.71 |
| 4fc0 | ASP593 | -0.62 | -1.59 | -2.21 | 1.90 | -0.31 |
