Binding information for 1exw_ligand_3_0.mol2(FDBF00325)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1exw_ligand_3_0.mol2 | 1exw | 1 | -5.75 | C(C)C[S](O)O | 6 |
Structure and binding mode of 1exw_ligand_3_0.mol2(FDBF00325)
Important binding residues for 1exw_ligand_3_0.mol2(FDBF00325)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1exw | ASP43 | -0.04 | -31.51 | -31.55 | 31.19 | -0.35 |
| 1exw | GLN116 | -0.88 | -2.20 | -3.08 | 2.77 | -0.32 |
| 1exw | ASP237 | -0.04 | -27.90 | -27.94 | 27.59 | -0.35 |
