Binding information for 4yv5_ligand_1_2.mol2(FDBF01731)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yv5_ligand_1_2.mol2 | 4yv5 | 1 | -5.75 | c1cc(c(cc1)C)NC=O | 10 |
Structure and binding mode of 4yv5_ligand_1_2.mol2(FDBF01731)
Important binding residues for 4yv5_ligand_1_2.mol2(FDBF01731)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4yv5 | LYS115 | -1.47 | 0.79 | -0.68 | -0.20 | -0.88 |
| 4yv5 | LYS116 | -0.57 | -0.41 | -0.98 | 0.46 | -0.52 |
| 4yv5 | TYR119 | -0.37 | -1.04 | -1.41 | 0.85 | -0.55 |
