Binding information for 1w6j_ligand_5_786.mol2(FDBF01164)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6j_ligand_5_786.mol2 | 1w6j | 1 | -6.10 | C(C[NH+](C)C)CC | 7 |
Structure and binding mode of 1w6j_ligand_5_786.mol2(FDBF01164)
Important binding residues for 1w6j_ligand_5_786.mol2(FDBF01164)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6j | PHE444 | -1.16 | 0.33 | -0.83 | 0.33 | -0.50 |
| 1w6j | VAL453 | -0.85 | 1.87 | 1.02 | -1.82 | -0.79 |
| 1w6j | TRP581 | -1.90 | -2.83 | -4.73 | 2.77 | -1.96 |
