Binding information for 3fzt_ligand_2_5.mol2(FDBF00357)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fzt_ligand_2_5.mol2 | 3fzt | 1 | -6.12 | c1c(cncc1)OC | 8 |
Structure and binding mode of 3fzt_ligand_2_5.mol2(FDBF00357)
Important binding residues for 3fzt_ligand_2_5.mol2(FDBF00357)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fzt | LEU431 | -0.68 | -0.77 | -1.45 | 0.78 | -0.67 |
| 3fzt | ALA455 | -0.42 | 0.02 | -0.4 | -0.02 | -0.43 |
| 3fzt | MET502 | -0.28 | -0.04 | -0.32 | -0.11 | -0.43 |
| 3fzt | LEU504 | -1.01 | -1.60 | -2.61 | 0.34 | -2.28 |
| 3fzt | TYR505 | 0.50 | -2.96 | -2.46 | 1.45 | -1.01 |
| 3fzt | LEU556 | -1.07 | -0.11 | -1.18 | 0.01 | -1.18 |
| 3fzt | PHE568 | -1.19 | -0.56 | -1.75 | 0.37 | -1.39 |
