Binding information for 2y1w_ligand_1_2.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y1w_ligand_1_2.mol2 | 2y1w | 1 | -6.18 | C[NH+]1CCCCC1 | 7 |
Structure and binding mode of 2y1w_ligand_1_2.mol2(FDBF00663)
Important binding residues for 2y1w_ligand_1_2.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2y1w | PHE153 | -0.41 | 0.58 | 0.17 | -0.49 | -0.32 |
| 2y1w | MET163 | -0.96 | -20.79 | -21.75 | 20.56 | -1.18 |
| 2y1w | MET260 | -0.51 | -4.14 | -4.65 | 3.95 | -0.70 |
| 2y1w | TYR262 | -1.04 | 0.28 | -0.76 | -0.08 | -0.84 |
| 2y1w | TRP416 | -1.27 | 0.40 | -0.87 | -0.61 | -1.49 |
