Binding information for 4oba_ligand_1_6.mol2(FDBF00318)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oba_ligand_1_6.mol2 | 4oba | 1 | -5.76 | [S](O)(O)C(C)(C)C | 7 |
Structure and binding mode of 4oba_ligand_1_6.mol2(FDBF00318)
Important binding residues for 4oba_ligand_1_6.mol2(FDBF00318)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oba | PHE55 | -1.33 | -2.00 | -3.33 | 2.03 | -1.30 |
| 4oba | GLN59 | -1.09 | 1.20 | 0.11 | -0.70 | -0.59 |
| 4oba | MET62 | -0.72 | 1.78 | 1.06 | -1.65 | -0.60 |
