Binding information for 4zom_ligand_1_0.mol2(FDBF01830)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zom_ligand_1_0.mol2 | 4zom | 0.530973 | -7.59 | c1c(cccc1)c1cc(NC(=O)C)[nH+][nH]1 | 15 |
Structure and binding mode of 4zom_ligand_1_0.mol2(FDBF01830)
Important binding residues for 4zom_ligand_1_0.mol2(FDBF01830)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zom | LEU287 | -0.47 | -1.44 | -1.91 | 1.42 | -0.49 |
| 4zom | CYS320 | -0.96 | 0.19 | -0.77 | 0.21 | -0.55 |
| 4zom | HIS323 | -2.79 | 0.63 | -2.16 | 0.12 | -2.04 |
| 4zom | LEU324 | -1.03 | -0.08 | -1.11 | 0.07 | -1.04 |
| 4zom | MET365 | -0.51 | 0.12 | -0.39 | -0.12 | -0.50 |
| 4zom | PHE377 | -0.82 | 0.67 | -0.15 | -0.42 | -0.58 |
| 4zom | PHE378 | -1.65 | -1.49 | -3.14 | 0.89 | -2.25 |
| 4zom | GLU379 | -0.28 | 0.29 | 0.01 | -0.62 | -0.61 |
