Binding information for 2fxu_ligand_3_6.mol2(FDBF01787)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_3_6.mol2 | 2fxu | 1 | -6.22 | [C@@H](C)(C(=O)NC)CO | 8 |
Structure and binding mode of 2fxu_ligand_3_6.mol2(FDBF01787)
Important binding residues for 2fxu_ligand_3_6.mol2(FDBF01787)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fxu | ALA135 | -0.59 | -1.23 | -1.82 | 0.32 | -1.49 |
| 2fxu | ILE136 | -1.15 | -2.29 | -3.44 | 0.85 | -2.59 |
| 2fxu | VAL139 | -1.05 | -0.07 | -1.12 | 0.32 | -0.80 |
| 2fxu | LEU140 | -0.76 | -0.25 | -1.01 | 0.32 | -0.69 |
| 2fxu | TYR143 | -1.22 | -1.74 | -2.96 | 1.19 | -1.77 |
| 2fxu | TYR169 | -0.92 | -0.42 | -1.34 | 0.76 | -0.57 |
| 2fxu | LEU346 | -0.90 | -0.04 | -0.94 | 0.05 | -0.89 |
