Binding information for 4o7b_ligand_1_1.mol2(FDBF02504)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o7b_ligand_1_1.mol2 | 4o7b | 0.291667 | -5.51 | O=C1N=CCC=N1 | 7 |
Structure and binding mode of 4o7b_ligand_1_1.mol2(FDBF02504)
Important binding residues for 4o7b_ligand_1_1.mol2(FDBF02504)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o7b | TRP81 | -0.71 | -0.39 | -1.1 | 0.47 | -0.63 |
| 4o7b | PRO82 | -1.55 | -1.79 | -3.34 | 2.02 | -1.32 |
| 4o7b | LEU92 | -1.21 | 0.16 | -1.05 | -0.27 | -1.31 |
| 4o7b | ILE146 | -0.74 | -0.10 | -0.84 | 0.02 | -0.82 |
