Binding information for 1k6v_ligand_3_186.mol2(FDBF02486)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1k6v_ligand_3_186.mol2 | 1k6v | 0.857143 | -5.56 | C(O)CCC=C | 6 |
Structure and binding mode of 1k6v_ligand_3_186.mol2(FDBF02486)
Important binding residues for 1k6v_ligand_3_186.mol2(FDBF02486)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1k6v | GLY27 | -0.27 | -0.07 | -0.34 | -0.62 | -0.96 |
| 1k6v | VAL84 | -0.30 | 0.05 | -0.25 | -0.19 | -0.44 |
| 1k6v | GLY27 | -0.76 | -0.78 | -1.54 | -0.48 | -2.02 |
| 1k6v | ILE50 | -0.68 | -0.01 | -0.69 | -0.06 | -0.75 |
