Binding information for 4qo4_ligand_1_6.mol2(FDBF00592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qo4_ligand_1_6.mol2 | 4qo4 | 0.977273 | -5.88 | c1(ccccn1)C1CC1 | 9 |
Structure and binding mode of 4qo4_ligand_1_6.mol2(FDBF00592)
Important binding residues for 4qo4_ligand_1_6.mol2(FDBF00592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4qo4 | LEU54 | -0.88 | 0.53 | -0.35 | -0.21 | -0.55 |
| 4qo4 | PHE55 | -1.62 | 0.27 | -1.35 | -0.12 | -1.47 |
| 4qo4 | GLY58 | -1.06 | -0.99 | -2.05 | 0.81 | -1.24 |
| 4qo4 | GLN59 | -0.83 | -0.58 | -1.41 | 1.03 | -0.38 |
| 4qo4 | MET62 | -0.38 | 0.12 | -0.26 | -0.13 | -0.38 |
