Binding information for 4dh6_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dh6_ligand_1_1.mol2 | 4dh6 | 1 | -6.35 | C(C)(C)(C)C | 5 |
Structure and binding mode of 4dh6_ligand_1_1.mol2(FDBF00007)
Important binding residues for 4dh6_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dh6 | SER35 | -0.72 | 0.02 | -0.7 | 0.14 | -0.56 |
| 4dh6 | VAL69 | -0.32 | 0.01 | -0.31 | -0.10 | -0.41 |
| 4dh6 | TYR71 | -0.98 | 0.00 | -0.98 | 0.49 | -0.48 |
| 4dh6 | ILE126 | -0.90 | -0.00 | -0.9 | 0.43 | -0.48 |
| 4dh6 | ARG128 | -1.25 | 0.06 | -1.19 | 0.84 | -0.35 |
