Binding information for 1ftk_ligand_frag_0.mol2(FDBF00146)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ftk_ligand_frag_0.mol2 | 1ftk | 1 | -6.66 | [NH2+]1CCC[C@H]1C(=O)O | 8 |
Structure and binding mode of 1ftk_ligand_frag_0.mol2(FDBF00146)
Important binding residues for 1ftk_ligand_frag_0.mol2(FDBF00146)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ftk | TYR73 | -2.21 | -1.85 | -4.06 | 1.77 | -2.29 |
| 1ftk | PRO101 | -0.68 | -3.53 | -4.21 | 2.40 | -1.82 |
| 1ftk | LEU102 | -0.77 | -2.33 | -3.1 | 1.00 | -2.09 |
| 1ftk | THR103 | -1.14 | -0.89 | -2.03 | -1.24 | -3.27 |
| 1ftk | ARG108 | 0.21 | -20.40 | -20.19 | 12.42 | -7.78 |
| 1ftk | LEU154 | -0.25 | 0.22 | -0.03 | -0.28 | -0.31 |
| 1ftk | GLY157 | -0.40 | -2.21 | -2.61 | 1.74 | -0.87 |
| 1ftk | SER158 | -1.22 | -2.92 | -4.14 | 2.82 | -1.32 |
