Binding information for 1kv2_ligand_1_6.mol2(FDBF07342)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kv2_ligand_1_6.mol2 | 1kv2 | 0.76 | -5.69 | C[NH+]1CCOCC1 | 7 |
Structure and binding mode of 1kv2_ligand_1_6.mol2(FDBF07342)
Important binding residues for 1kv2_ligand_1_6.mol2(FDBF07342)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kv2 | ALA51 | -0.82 | 1.28 | 0.46 | -1.18 | -0.72 |
| 1kv2 | ALA157 | -0.38 | 1.77 | 1.39 | -1.72 | -0.32 |
| 1kv2 | LEU167 | -0.50 | 0.91 | 0.41 | -1.00 | -0.60 |
| 1kv2 | PHE169 | -0.60 | -15.79 | -16.39 | 15.99 | -0.40 |
