Binding information for 4nvq_ligand_4_6.mol2(FDBF02411)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nvq_ligand_4_6.mol2 | 4nvq | 1 | -6.47 | [NH+]1(CCCC1)CCCO | 9 |
Structure and binding mode of 4nvq_ligand_4_6.mol2(FDBF02411)
Important binding residues for 4nvq_ligand_4_6.mol2(FDBF02411)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nvq | LEU1086 | -0.11 | -9.27 | -9.38 | 7.02 | -2.35 |
| 4nvq | PHE1087 | -1.50 | 0.62 | -0.88 | -0.30 | -1.18 |
| 4nvq | TYR1154 | -2.01 | -3.54 | -5.55 | 4.34 | -1.21 |
| 4nvq | ARG1157 | -0.39 | 18.25 | 17.86 | -18.40 | -0.54 |
| 4nvq | PHE1158 | -1.30 | 0.53 | -0.77 | -0.57 | -1.34 |
