Binding information for 4oas_ligand_1_7.mol2(FDBF00318)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oas_ligand_1_7.mol2 | 4oas | 1 | -5.74 | [S](O)(O)C(C)(C)C | 7 |
Structure and binding mode of 4oas_ligand_1_7.mol2(FDBF00318)
Important binding residues for 4oas_ligand_1_7.mol2(FDBF00318)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oas | PHE55 | -1.41 | -1.59 | -3 | 1.74 | -1.26 |
| 4oas | GLN59 | -1.02 | -0.33 | -1.35 | 0.48 | -0.87 |
| 4oas | MET62 | -0.62 | 0.99 | 0.37 | -0.96 | -0.59 |
