Binding information for 2hz0_ligand_2_25.mol2(FDBF00642)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hz0_ligand_2_25.mol2 | 2hz0 | 1 | -6.89 | CNc1ccccc1 | 8 |
Structure and binding mode of 2hz0_ligand_2_25.mol2(FDBF00642)
Important binding residues for 2hz0_ligand_2_25.mol2(FDBF00642)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hz0 | VAL256 | -0.92 | 0.03 | -0.89 | -0.08 | -0.98 |
| 2hz0 | ALA269 | -0.67 | 0.19 | -0.48 | 0.02 | -0.46 |
| 2hz0 | VAL270 | -0.46 | 0.09 | -0.37 | -0.05 | -0.41 |
| 2hz0 | LYS271 | -1.67 | -2.01 | -3.68 | 0.61 | -3.07 |
| 2hz0 | VAL299 | -0.48 | -0.16 | -0.64 | -0.07 | -0.71 |
| 2hz0 | ILE313 | -0.46 | -0.19 | -0.65 | 0.08 | -0.57 |
| 2hz0 | ILE314 | -0.34 | -0.14 | -0.48 | -0.16 | -0.65 |
| 2hz0 | LEU370 | -0.40 | 0.02 | -0.38 | -0.05 | -0.43 |
| 2hz0 | PHE382 | -0.91 | -0.18 | -1.09 | 0.15 | -0.94 |
