Binding information for 4fxy_ligand_frag_4.mol2(FDBF00306)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fxy_ligand_frag_4.mol2 | 4fxy | 1 | -7.47 | C1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C3)C2 | 10 |
Structure and binding mode of 4fxy_ligand_frag_4.mol2(FDBF00306)
Important binding residues for 4fxy_ligand_frag_4.mol2(FDBF00306)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fxy | LEU69 | -0.62 | 0.00 | -0.62 | -0.06 | -0.68 |
| 4fxy | SER114 | -0.68 | -0.00 | -0.68 | 0.32 | -0.36 |
| 4fxy | ARG116 | -0.90 | 0.09 | -0.81 | 0.20 | -0.62 |
| 4fxy | VAL119 | -1.20 | 0.00 | -1.2 | -0.40 | -1.60 |
| 4fxy | PHE120 | -1.38 | 0.01 | -1.37 | 0.18 | -1.19 |
| 4fxy | MET149 | -1.15 | 0.02 | -1.13 | -0.10 | -1.23 |
| 4fxy | GLY150 | -0.63 | 0.02 | -0.61 | -0.07 | -0.69 |
| 4fxy | LEU155 | -0.53 | -0.10 | -0.63 | 0.29 | -0.33 |
