Binding information for 1jg0_ligand_2_35.mol2(FDBF02583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jg0_ligand_2_35.mol2 | 1jg0 | 0.971429 | -6.46 | [S](O)(O)c1c2cccc(c2ccc1)N(C)C | 16 |
Structure and binding mode of 1jg0_ligand_2_35.mol2(FDBF02583)
Important binding residues for 1jg0_ligand_2_35.mol2(FDBF02583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jg0 | TRP83 | -1.08 | -12.05 | -13.13 | 12.41 | -0.73 |
| 1jg0 | LEU143 | -0.73 | 0.77 | 0.04 | -0.85 | -0.81 |
| 1jg0 | GLY173 | 0.52 | -0.67 | -0.15 | -0.50 | -0.64 |
| 1jg0 | VAL262 | -0.91 | 1.73 | 0.82 | -1.88 | -1.07 |
