Binding information for 4ode_ligand_1_8.mol2(FDBF01310)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ode_ligand_1_8.mol2 | 4ode | 0.617021 | -5.51 | Cc1sccn1 | 6 |
Structure and binding mode of 4ode_ligand_1_8.mol2(FDBF01310)
Important binding residues for 4ode_ligand_1_8.mol2(FDBF01310)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ode | VAL93 | -1.14 | 0.94 | -0.2 | -0.37 | -0.57 |
| 4ode | LYS94 | -1.44 | -0.07 | -1.51 | 0.05 | -1.46 |
| 4ode | HIS96 | -0.10 | -3.27 | -3.37 | 1.64 | -1.73 |
