Binding information for 4o15_ligand_2_5.mol2(FDBF02585)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o15_ligand_2_5.mol2 | 4o15 | 0.651163 | -7.43 | S(=O)(=O)(c1ccccc1)c1ccccc1 | 15 |
Structure and binding mode of 4o15_ligand_2_5.mol2(FDBF02585)
Important binding residues for 4o15_ligand_2_5.mol2(FDBF02585)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o15 | GLY217 | -0.19 | 0.28 | 0.09 | -0.47 | -0.37 |
| 4o15 | SER241 | -0.65 | 0.06 | -0.59 | -0.08 | -0.67 |
| 4o15 | VAL242 | -2.23 | -0.40 | -2.63 | 0.61 | -2.02 |
| 4o15 | PRO273 | -0.65 | 0.05 | -0.6 | -0.00 | -0.60 |
| 4o15 | SER275 | -0.77 | 0.28 | -0.49 | 0.08 | -0.42 |
| 4o15 | ILE309 | -1.12 | -0.43 | -1.55 | 0.19 | -1.37 |
| 4o15 | ILE351 | -1.25 | -0.29 | -1.54 | 0.16 | -1.38 |
| 4o15 | ALA379 | -0.44 | -0.52 | -0.96 | 0.27 | -0.69 |
