Binding information for 4qo4_ligand_2_11.mol2(FDBF00592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qo4_ligand_2_11.mol2 | 4qo4 | 1 | -6.06 | C(C)Cc1ccccn1 | 9 |
Structure and binding mode of 4qo4_ligand_2_11.mol2(FDBF00592)
Important binding residues for 4qo4_ligand_2_11.mol2(FDBF00592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4qo4 | PHE55 | -0.91 | 0.38 | -0.53 | -0.19 | -0.73 |
| 4qo4 | GLY58 | -1.48 | -1.08 | -2.56 | 1.03 | -1.54 |
| 4qo4 | GLN59 | -0.86 | -0.58 | -1.44 | 1.03 | -0.41 |
| 4qo4 | ILE61 | -0.84 | 0.05 | -0.79 | -0.07 | -0.87 |
| 4qo4 | MET62 | -0.91 | 0.07 | -0.84 | 0.01 | -0.82 |
| 4qo4 | TYR67 | -0.70 | 0.02 | -0.68 | 0.16 | -0.52 |
| 4qo4 | VAL93 | -0.46 | 0.13 | -0.33 | -0.16 | -0.48 |
