Binding information for 1xp9_ligand_2_14.mol2(FDBF01101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xp9_ligand_2_14.mol2 | 1xp9 | 1 | -6.50 | [NH+]1(CCCC1)C(C)C | 8 |
Structure and binding mode of 1xp9_ligand_2_14.mol2(FDBF01101)
Important binding residues for 1xp9_ligand_2_14.mol2(FDBF01101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xp9 | ALA350 | -0.57 | 0.85 | 0.28 | -0.58 | -0.31 |
| 1xp9 | TRP383 | -1.50 | 15.05 | 13.55 | -14.68 | -1.13 |
| 1xp9 | LEU525 | -0.59 | 0.33 | -0.26 | -0.34 | -0.59 |
| 1xp9 | LEU536 | -0.50 | -16.44 | -16.94 | 16.49 | -0.45 |
