Binding information for 3h0z_ligand_3_0.mol2(FDBF05559)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h0z_ligand_3_0.mol2 | 3h0z | 0.6 | -7.70 | Nc1ccc(cc1)C(=O)Nc1c(Cl)cccc1 | 17 |
Structure and binding mode of 3h0z_ligand_3_0.mol2(FDBF05559)
Important binding residues for 3h0z_ligand_3_0.mol2(FDBF05559)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h0z | LEU139 | -0.84 | 1.00 | 0.16 | -0.56 | -0.41 |
| 3h0z | GLY140 | -0.89 | -1.89 | -2.78 | 1.58 | -1.20 |
| 3h0z | LYS141 | -1.86 | 0.34 | -1.52 | -0.18 | -1.69 |
| 3h0z | THR217 | -1.30 | -0.76 | -2.06 | 1.41 | -0.65 |
| 3h0z | TYR219 | -1.49 | -0.30 | -1.79 | 0.66 | -1.12 |
| 3h0z | GLU260 | -1.79 | -3.37 | -5.16 | 3.66 | -1.50 |
| 3h0z | LEU263 | -0.98 | 0.05 | -0.93 | -0.09 | -1.02 |
