Binding information for 2won_ligand_1_5.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2won_ligand_1_5.mol2 | 2won | 1 | -5.64 | C(O)C | 3 |
Structure and binding mode of 2won_ligand_1_5.mol2(FDBF00041)
Important binding residues for 2won_ligand_1_5.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2won | LEU100 | -0.57 | 0.08 | -0.49 | -0.23 | -0.71 |
| 2won | LYS102 | -0.44 | -2.07 | -2.51 | 1.20 | -1.32 |
| 2won | LYS103 | -0.81 | -1.78 | -2.59 | 1.68 | -0.91 |
| 2won | TYR318 | -1.28 | -0.05 | -1.33 | 0.62 | -0.71 |
