Binding information for 4i9z_ligand_2_22.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i9z_ligand_2_22.mol2 | 4i9z | 1 | -5.73 | OCCC | 4 |
Structure and binding mode of 4i9z_ligand_2_22.mol2(FDBF00018)
Important binding residues for 4i9z_ligand_2_22.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4i9z | VAL782 | -1.00 | 0.14 | -0.86 | -0.39 | -1.24 |
| 4i9z | ALA783 | -0.73 | 0.20 | -0.53 | -0.11 | -0.64 |
| 4i9z | PHE786 | -0.82 | 0.28 | -0.54 | 0.17 | -0.37 |
| 4i9z | ILE813 | -0.98 | -0.07 | -1.05 | 0.11 | -0.94 |
| 4i9z | MET816 | -0.49 | 0.14 | -0.35 | -0.17 | -0.52 |
| 4i9z | GLN817 | -0.91 | -2.49 | -3.4 | 3.01 | -0.39 |
