Binding information for 1q65_ligand_4_4.mol2(FDBF01313)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1q65_ligand_4_4.mol2 | 1q65 | 0.714286 | -5.08 | [NH+](C)(C)CCSC | 7 |
Structure and binding mode of 1q65_ligand_4_4.mol2(FDBF01313)
Important binding residues for 1q65_ligand_4_4.mol2(FDBF01313)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1q65 | TYR106 | -0.68 | 0.22 | -0.46 | -0.21 | -0.67 |
| 1q65 | MET260 | -0.45 | 1.89 | 1.44 | -1.77 | -0.32 |
| 1q65 | GLY261 | -0.28 | 0.99 | 0.71 | -1.02 | -0.31 |
| 1q65 | VAL282 | -0.70 | 1.92 | 1.22 | -1.93 | -0.71 |
