Binding information for 4o2a_ligand_1_5.mol2(FDBF06812)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o2a_ligand_1_5.mol2 | 4o2a | 0.416667 | -5.57 | CCC#N | 4 |
Structure and binding mode of 4o2a_ligand_1_5.mol2(FDBF06812)
Important binding residues for 4o2a_ligand_1_5.mol2(FDBF06812)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o2a | SER178 | -0.83 | -1.23 | -2.06 | 0.93 | -1.14 |
| 4o2a | THR179 | -0.89 | 1.26 | 0.37 | -0.86 | -0.49 |
| 4o2a | ALA180 | -0.55 | 0.25 | -0.3 | -0.29 | -0.60 |
| 4o2a | GLN247 | -0.52 | -1.30 | -1.82 | 1.42 | -0.41 |
| 4o2a | LEU248 | -0.96 | -0.65 | -1.61 | 0.93 | -0.69 |
| 4o2a | LYS352 | -0.59 | -5.60 | -6.19 | 5.65 | -0.54 |
