Binding information for 3doy_ligand_1_1.mol2(FDBF03310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3doy_ligand_1_1.mol2 | 3doy | 0.285714 | -5.05 | C(=O)N=N | 4 |
Structure and binding mode of 3doy_ligand_1_1.mol2(FDBF03310)
Important binding residues for 3doy_ligand_1_1.mol2(FDBF03310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3doy | PHE59 | -0.30 | -0.02 | -0.32 | 0.01 | -0.31 |
| 3doy | ILE64 | -0.61 | 0.02 | -0.59 | -0.10 | -0.69 |
| 3doy | PRO112 | -0.27 | 0.03 | -0.24 | -0.09 | -0.33 |
| 3doy | TYR100 | -0.71 | -0.14 | -0.85 | 0.03 | -0.82 |
