Binding information for 4zom_ligand_2_7.mol2(FDBF02500)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zom_ligand_2_7.mol2 | 4zom | 0.597561 | -7.68 | N(C=O)(C)c1ccccc1N1C[C@@H]2C[C@@H]2C1 | 16 |
Structure and binding mode of 4zom_ligand_2_7.mol2(FDBF02500)
Important binding residues for 4zom_ligand_2_7.mol2(FDBF02500)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zom | CYS320 | -1.39 | 0.61 | -0.78 | 0.35 | -0.43 |
| 4zom | LEU324 | -1.24 | -0.23 | -1.47 | -0.06 | -1.54 |
| 4zom | MET365 | -1.23 | 0.44 | -0.79 | -0.19 | -0.98 |
| 4zom | VAL376 | -0.76 | 0.06 | -0.7 | -0.27 | -0.97 |
| 4zom | PHE378 | -0.92 | -0.16 | -1.08 | 0.61 | -0.46 |
| 4zom | LEU387 | -0.09 | 0.02 | -0.07 | -0.25 | -0.32 |
| 4zom | LEU391 | -0.44 | 1.35 | 0.91 | -1.24 | -0.32 |
| 4zom | ILE397 | -0.84 | 0.06 | -0.78 | -0.12 | -0.90 |
| 4zom | ILE400 | -1.00 | 0.15 | -0.85 | -0.47 | -1.31 |
| 4zom | HIS479 | 0.01 | -2.93 | -2.92 | 1.63 | -1.29 |
