Binding information for 1wun_ligand_2_65.mol2(FDBF02158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wun_ligand_2_65.mol2 | 1wun | 1 | -5.15 | C(C)S(=O)(=O)NC | 7 |
Structure and binding mode of 1wun_ligand_2_65.mol2(FDBF02158)
Important binding residues for 1wun_ligand_2_65.mol2(FDBF02158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1wun | LYS192 | -0.71 | -6.52 | -7.23 | 6.63 | -0.61 |
| 1wun | GLY216 | -0.23 | -2.26 | -2.49 | 1.43 | -1.07 |
| 1wun | GLY219 | 3.48 | -10.65 | -7.17 | 6.46 | -0.71 |
