Binding information for 4nvq_ligand_1_0.mol2(FDBF00209)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nvq_ligand_1_0.mol2 | 4nvq | 1 | -6.21 | [NH+]1(CCCC1)C | 6 |
Structure and binding mode of 4nvq_ligand_1_0.mol2(FDBF00209)
Important binding residues for 4nvq_ligand_1_0.mol2(FDBF00209)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nvq | TYR1067 | -0.88 | -16.25 | -17.13 | 16.79 | -0.34 |
| 4nvq | LEU1086 | -0.33 | -9.15 | -9.48 | 7.11 | -2.37 |
| 4nvq | PHE1087 | -1.19 | 0.47 | -0.72 | -0.29 | -1.02 |
| 4nvq | TYR1154 | -2.13 | -3.43 | -5.56 | 3.66 | -1.90 |
| 4nvq | PHE1158 | -0.83 | 1.06 | 0.23 | -0.95 | -0.72 |
