Binding information for 4nvq_ligand_2_3.mol2(FDBF01101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nvq_ligand_2_3.mol2 | 4nvq | 1 | -6.50 | [NH+]1(CCCC1)CC | 7 |
Structure and binding mode of 4nvq_ligand_2_3.mol2(FDBF01101)
Important binding residues for 4nvq_ligand_2_3.mol2(FDBF01101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nvq | LEU1086 | -0.55 | -8.92 | -9.47 | 7.01 | -2.45 |
| 4nvq | PHE1087 | -1.32 | 0.50 | -0.82 | -0.28 | -1.10 |
| 4nvq | TYR1154 | -2.22 | -3.57 | -5.79 | 4.31 | -1.49 |
| 4nvq | PHE1158 | -1.02 | 1.10 | 0.08 | -0.96 | -0.88 |
