Binding information for 1mu6_ligand_3_0.mol2(FDBF00591)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mu6_ligand_3_0.mol2 | 1mu6 | 0.661765 | -6.09 | [NH3+]CC(F)(F)c1ncccc1 | 11 |
Structure and binding mode of 1mu6_ligand_3_0.mol2(FDBF00591)
Important binding residues for 1mu6_ligand_3_0.mol2(FDBF00591)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mu6 | LEU99 | -0.83 | 0.00 | -0.83 | -0.16 | -0.98 |
| 1mu6 | ASP100 | -0.03 | -26.95 | -26.98 | 26.65 | -0.33 |
| 1mu6 | GLU146 | -0.01 | -26.98 | -26.99 | 26.67 | -0.32 |
| 1mu6 | ILE174 | -1.19 | 1.09 | -0.1 | -1.14 | -1.25 |
| 1mu6 | TRP215 | -1.48 | 1.47 | -0.01 | -1.11 | -1.11 |
| 1mu6 | GLY216 | -0.58 | -6.93 | -7.51 | 5.10 | -2.41 |
| 1mu6 | GLU217 | -0.61 | -43.26 | -43.87 | 42.69 | -1.18 |
