Binding information for 1xh9_ligand_frag_1.mol2(FDBF00014)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh9_ligand_frag_1.mol2 | 1xh9 | 1 | -6.39 | c1ccncc1 | 6 |
Structure and binding mode of 1xh9_ligand_frag_1.mol2(FDBF00014)
Important binding residues for 1xh9_ligand_frag_1.mol2(FDBF00014)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xh9 | LEU49 | -0.61 | -0.06 | -0.67 | 0.21 | -0.46 |
| 1xh9 | VAL57 | -0.57 | -0.06 | -0.63 | -0.07 | -0.70 |
| 1xh9 | ALA70 | -0.77 | -0.15 | -0.92 | 0.03 | -0.89 |
| 1xh9 | MET120 | -0.63 | -0.01 | -0.64 | 0.13 | -0.51 |
| 1xh9 | TYR122 | -1.03 | -1.59 | -2.62 | 0.66 | -1.95 |
| 1xh9 | ALA123 | -0.62 | -1.77 | -2.39 | 0.55 | -1.85 |
| 1xh9 | MET173 | -1.18 | -0.32 | -1.5 | 0.39 | -1.10 |
| 1xh9 | THR183 | -0.58 | -0.16 | -0.74 | 0.08 | -0.66 |
| 1xh9 | PHE327 | -0.48 | -0.22 | -0.7 | 0.38 | -0.32 |
