Binding information for 1kv2_ligand_3_34.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kv2_ligand_3_34.mol2 | 1kv2 | 1 | -5.66 | OCC[NH+]1CCOCC1 | 9 |
Structure and binding mode of 1kv2_ligand_3_34.mol2(FDBF04171)
Important binding residues for 1kv2_ligand_3_34.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kv2 | ALA51 | -1.02 | 0.99 | -0.03 | -1.05 | -1.08 |
| 1kv2 | THR106 | -0.38 | -0.64 | -1.02 | 0.68 | -0.33 |
| 1kv2 | ALA157 | -0.39 | 1.72 | 1.33 | -1.69 | -0.35 |
| 1kv2 | LEU167 | -0.74 | 1.07 | 0.33 | -1.18 | -0.85 |
| 1kv2 | PHE169 | -0.61 | -17.54 | -18.15 | 17.77 | -0.38 |
