Binding information for 1nnk_ligand_frag_0.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nnk_ligand_frag_0.mol2 | 1nnk | 1 | -6.34 | CC(C)C | 4 |
Structure and binding mode of 1nnk_ligand_frag_0.mol2(FDBF00007)
Important binding residues for 1nnk_ligand_frag_0.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nnk | PRO86 | -0.75 | -0.03 | -0.78 | 0.42 | -0.36 |
| 1nnk | LEU135 | -0.33 | 0.01 | -0.32 | -0.05 | -0.38 |
| 1nnk | LEU189 | -0.50 | 0.02 | -0.48 | -0.09 | -0.57 |
| 1nnk | MET193 | -0.30 | 0.02 | -0.28 | -0.04 | -0.32 |
