Binding information for 1xh5_ligand_1_0.mol2(FDBF01186)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh5_ligand_1_0.mol2 | 1xh5 | 0.755556 | -6.68 | O=C(N)c1ccncc1 | 9 |
Structure and binding mode of 1xh5_ligand_1_0.mol2(FDBF01186)
Important binding residues for 1xh5_ligand_1_0.mol2(FDBF01186)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xh5 | LEU49 | -0.78 | -0.44 | -1.22 | 0.68 | -0.54 |
| 1xh5 | VAL57 | -1.02 | -0.32 | -1.34 | 0.17 | -1.16 |
| 1xh5 | ALA70 | -0.73 | -0.01 | -0.74 | -0.04 | -0.79 |
| 1xh5 | MET120 | -0.74 | -0.60 | -1.34 | 0.81 | -0.53 |
| 1xh5 | TYR122 | -1.03 | -1.11 | -2.14 | 0.28 | -1.86 |
| 1xh5 | VAL123 | -0.97 | -2.18 | -3.15 | 0.89 | -2.26 |
| 1xh5 | LEU173 | -1.59 | 0.15 | -1.44 | -0.18 | -1.61 |
| 1xh5 | THR183 | -1.19 | -1.53 | -2.72 | 1.52 | -1.20 |
