Binding information for 1tkz_ligand_1_0.mol2(FDBF00137)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tkz_ligand_1_0.mol2 | 1tkz | 0.444444 | -7.05 | C1(CCCCC1)S | 7 |
Structure and binding mode of 1tkz_ligand_1_0.mol2(FDBF00137)
Important binding residues for 1tkz_ligand_1_0.mol2(FDBF00137)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tkz | PRO95 | -0.60 | -0.04 | -0.64 | 0.12 | -0.52 |
| 1tkz | LEU100 | -0.82 | -0.16 | -0.98 | 0.01 | -0.97 |
| 1tkz | VAL106 | -0.30 | -0.11 | -0.41 | -0.05 | -0.45 |
| 1tkz | TYR181 | -1.77 | -0.13 | -1.9 | 0.67 | -1.24 |
| 1tkz | TYR188 | -1.32 | -0.30 | -1.62 | 1.04 | -0.58 |
| 1tkz | PHE227 | -0.49 | -0.06 | -0.55 | 0.23 | -0.33 |
| 1tkz | TRP229 | -1.66 | -0.13 | -1.79 | 0.77 | -1.02 |
| 1tkz | LEU234 | -0.49 | 0.04 | -0.45 | -0.09 | -0.54 |
