Binding information for 2hz0_ligand_1_6.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2hz0_ligand_1_6.mol2 | 2hz0 | 1 | -6.72 | c1ccccc1N | 7 |
Structure and binding mode of 2hz0_ligand_1_6.mol2(FDBF00046)
Important binding residues for 2hz0_ligand_1_6.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2hz0 | VAL256 | -0.76 | 0.05 | -0.71 | -0.13 | -0.85 |
| 2hz0 | ALA269 | -0.60 | 0.22 | -0.38 | -0.00 | -0.38 |
| 2hz0 | VAL270 | -0.44 | 0.09 | -0.35 | -0.02 | -0.38 |
| 2hz0 | LYS271 | -1.58 | -1.87 | -3.45 | 0.67 | -2.79 |
| 2hz0 | VAL299 | -0.42 | -0.14 | -0.56 | -0.07 | -0.63 |
| 2hz0 | ILE313 | -0.45 | -0.24 | -0.69 | 0.13 | -0.56 |
| 2hz0 | ILE314 | -0.34 | -0.10 | -0.44 | -0.17 | -0.61 |
| 2hz0 | ASP381 | -0.77 | -0.52 | -1.29 | 0.82 | -0.47 |
| 2hz0 | PHE382 | -0.36 | -0.15 | -0.51 | 0.06 | -0.45 |
