Binding information for 1k6v_ligand_4_426.mol2(FDBF02486)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1k6v_ligand_4_426.mol2 | 1k6v | 0.75 | -5.91 | [C@H](O)(CCC=C)C | 7 |
Structure and binding mode of 1k6v_ligand_4_426.mol2(FDBF02486)
Important binding residues for 1k6v_ligand_4_426.mol2(FDBF02486)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1k6v | GLY27 | -0.62 | -0.03 | -0.65 | -0.68 | -1.34 |
| 1k6v | ALA28 | -0.51 | 0.13 | -0.38 | -0.08 | -0.46 |
| 1k6v | VAL84 | -0.32 | 0.05 | -0.27 | -0.20 | -0.48 |
| 1k6v | THR26 | -0.10 | -0.04 | -0.14 | -0.18 | -0.32 |
| 1k6v | GLY27 | -0.80 | -0.83 | -1.63 | -0.72 | -2.35 |
| 1k6v | ALA28 | -0.57 | 0.17 | -0.4 | 0.08 | -0.32 |
| 1k6v | ILE50 | -0.70 | -0.02 | -0.72 | -0.05 | -0.77 |
| 1k6v | VAL84 | -0.13 | -0.07 | -0.2 | -0.13 | -0.33 |
