Binding information for 4gto_ligand_1_8.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gto_ligand_1_8.mol2 | 4gto | 0.333333 | -5.77 | [S](O)(O)C(F)(F)F | 7 |
Structure and binding mode of 4gto_ligand_1_8.mol2(FDBF06936)
Important binding residues for 4gto_ligand_1_8.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gto | TYR154 | -0.93 | -1.26 | -2.19 | 1.27 | -0.92 |
| 4gto | CYS206 | -0.21 | -0.87 | -1.08 | 0.04 | -1.04 |
| 4gto | CYS254 | -0.43 | -0.47 | -0.9 | 0.51 | -0.39 |
| 4gto | TRP303 | -0.44 | -16.85 | -17.29 | 16.54 | -0.76 |
| 4gto | TYR365 | -0.25 | -14.05 | -14.3 | 13.91 | -0.40 |
