Binding information for 1xh6_ligand_frag_7.mol2(FDBF00014)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xh6_ligand_frag_7.mol2 | 1xh6 | 1 | -6.40 | c1ccncc1 | 6 |
Structure and binding mode of 1xh6_ligand_frag_7.mol2(FDBF00014)
Important binding residues for 1xh6_ligand_frag_7.mol2(FDBF00014)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xh6 | LEU49 | -0.69 | -0.15 | -0.84 | 0.27 | -0.56 |
| 1xh6 | VAL57 | -0.52 | -0.04 | -0.56 | -0.11 | -0.68 |
| 1xh6 | ALA70 | -0.59 | -0.17 | -0.76 | 0.07 | -0.70 |
| 1xh6 | MET120 | -0.49 | -0.04 | -0.53 | 0.05 | -0.48 |
| 1xh6 | TYR122 | -1.00 | -1.72 | -2.72 | 0.60 | -2.12 |
| 1xh6 | VAL123 | -0.91 | -2.07 | -2.98 | 0.60 | -2.38 |
| 1xh6 | LEU173 | -1.16 | -0.08 | -1.24 | -0.09 | -1.33 |
| 1xh6 | THR183 | -0.54 | 0.30 | -0.24 | -0.15 | -0.38 |
