Binding information for 1w7g_ligand_2_40.mol2(FDBF01000)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w7g_ligand_2_40.mol2 | 1w7g | 1 | -6.14 | CC[NH+]1CCN(C=O)CC1 | 10 |
Structure and binding mode of 1w7g_ligand_2_40.mol2(FDBF01000)
Important binding residues for 1w7g_ligand_2_40.mol2(FDBF01000)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w7g | HIS57 | -1.77 | 2.11 | 0.34 | -0.72 | -0.39 |
| 1w7g | TYR60A | -1.25 | -2.20 | -3.45 | 2.39 | -1.06 |
| 1w7g | TRP60D | -1.54 | -2.65 | -4.19 | 2.93 | -1.26 |
| 1w7g | LEU99 | -0.50 | -13.88 | -14.38 | 13.98 | -0.40 |
| 1w7g | TRP215 | -1.02 | -0.43 | -1.45 | -0.39 | -1.84 |
| 1w7g | GLY216 | -0.48 | -1.71 | -2.19 | 1.48 | -0.71 |
