Binding information for 4zom_ligand_2_0.mol2(FDBF01830)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zom_ligand_2_0.mol2 | 4zom | 0.470149 | -8.25 | C(C)(C)[n+]1c(c2ccccc2)cc(NC(=O)C)[nH]1 | 18 |
Structure and binding mode of 4zom_ligand_2_0.mol2(FDBF01830)
Important binding residues for 4zom_ligand_2_0.mol2(FDBF01830)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zom | LEU287 | -0.52 | -0.28 | -0.8 | 0.29 | -0.51 |
| 4zom | CYS320 | -1.01 | 0.20 | -0.81 | 0.19 | -0.62 |
| 4zom | HIS323 | -3.21 | 0.65 | -2.56 | 0.40 | -2.16 |
| 4zom | LEU324 | -1.76 | 0.12 | -1.64 | 0.05 | -1.59 |
| 4zom | VAL361 | -0.61 | 0.01 | -0.6 | -0.04 | -0.64 |
| 4zom | MET365 | -0.91 | 0.11 | -0.8 | -0.06 | -0.86 |
| 4zom | PHE377 | -0.86 | 0.53 | -0.33 | -0.27 | -0.60 |
| 4zom | PHE378 | -1.67 | -1.71 | -3.38 | 1.06 | -2.32 |
| 4zom | GLU379 | -0.34 | 0.77 | 0.43 | -0.94 | -0.50 |
