Binding information for 1tka_ligand_1_2.mol2(FDBF00110)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tka_ligand_1_2.mol2 | 1tka | 1 | -6.10 | Cc1scnc1C | 7 |
Structure and binding mode of 1tka_ligand_1_2.mol2(FDBF00110)
Important binding residues for 1tka_ligand_1_2.mol2(FDBF00110)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tka | LEU118 | -1.20 | -0.10 | -1.3 | -0.02 | -1.31 |
| 1tka | THR190 | -0.56 | 0.60 | 0.04 | -0.56 | -0.53 |
| 1tka | ILE191 | -0.76 | 0.37 | -0.39 | -0.80 | -1.19 |
| 1tka | LEU383 | -0.57 | -0.06 | -0.63 | 0.04 | -0.59 |
| 1tka | ILE416 | -0.79 | 0.01 | -0.78 | -0.04 | -0.82 |
