Binding information for 4nvq_ligand_frag_0.mol2(FDBF00690)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nvq_ligand_frag_0.mol2 | 4nvq | 1 | -6.14 | [NH2+]1CCCC1 | 5 |
Structure and binding mode of 4nvq_ligand_frag_0.mol2(FDBF00690)
Important binding residues for 4nvq_ligand_frag_0.mol2(FDBF00690)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nvq | TYR1067 | -0.87 | -16.81 | -17.68 | 16.96 | -0.72 |
| 4nvq | LEU1086 | -0.37 | -9.25 | -9.62 | 7.10 | -2.52 |
| 4nvq | PHE1087 | -1.12 | 0.47 | -0.65 | -0.34 | -1.00 |
| 4nvq | TYR1154 | -1.60 | -3.18 | -4.78 | 2.98 | -1.80 |
| 4nvq | PHE1158 | -0.43 | 0.92 | 0.49 | -0.94 | -0.45 |
