Binding information for 1tl3_ligand_frag_0.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tl3_ligand_frag_0.mol2 | 1tl3 | 0.461538 | -6.90 | C1CCCCC1 | 6 |
Structure and binding mode of 1tl3_ligand_frag_0.mol2(FDBF00749)
Important binding residues for 1tl3_ligand_frag_0.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tl3 | PRO95 | -0.39 | 0.00 | -0.39 | 0.04 | -0.34 |
| 1tl3 | LEU100 | -0.58 | 0.00 | -0.58 | -0.11 | -0.69 |
| 1tl3 | VAL106 | -0.25 | 0.00 | -0.25 | -0.09 | -0.34 |
| 1tl3 | TYR181 | -1.34 | -0.01 | -1.35 | 0.44 | -0.91 |
| 1tl3 | TYR188 | -1.33 | 0.06 | -1.27 | 0.77 | -0.51 |
| 1tl3 | PHE227 | -0.72 | 0.01 | -0.71 | 0.19 | -0.53 |
| 1tl3 | TRP229 | -1.72 | 0.01 | -1.71 | 0.70 | -1.00 |
| 1tl3 | LEU234 | -0.44 | -0.02 | -0.46 | -0.05 | -0.51 |
