Binding information for 2iko_ligand_2_7.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iko_ligand_2_7.mol2 | 2iko | 1 | -6.41 | CNc1ccccc1 | 8 |
Structure and binding mode of 2iko_ligand_2_7.mol2(FDBF00049)
Important binding residues for 2iko_ligand_2_7.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iko | TYR78 | -0.81 | -0.05 | -0.86 | 0.17 | -0.69 |
| 2iko | PRO113 | -1.18 | -0.35 | -1.53 | 0.50 | -1.03 |
| 2iko | PHE114 | -1.05 | -0.48 | -1.53 | 0.57 | -0.95 |
| 2iko | ALA117 | -0.53 | -0.02 | -0.55 | -0.04 | -0.58 |
| 2iko | PHE119 | -0.96 | -0.43 | -1.39 | 0.72 | -0.68 |
