Binding information for 2xfi_ligand_4_205.mol2(FDBF00695)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_4_205.mol2 | 2xfi | 0.848485 | -7.49 | c1(ccccc1)CC[C@@H](C)O | 11 |
Structure and binding mode of 2xfi_ligand_4_205.mol2(FDBF00695)
Important binding residues for 2xfi_ligand_4_205.mol2(FDBF00695)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfi | LEU91 | -0.71 | 0.41 | -0.3 | -0.37 | -0.67 |
| 2xfi | GLY95 | -0.65 | 1.13 | 0.48 | -1.30 | -0.82 |
| 2xfi | SER96 | -0.51 | 0.31 | -0.2 | -0.31 | -0.50 |
| 2xfi | TYR132 | -1.92 | -0.56 | -2.48 | 1.22 | -1.25 |
| 2xfi | PHE169 | -1.33 | -0.27 | -1.6 | 0.89 | -0.71 |
| 2xfi | ILE179 | -0.79 | 0.08 | -0.71 | -0.22 | -0.93 |
| 2xfi | GLY291 | -1.34 | 0.96 | -0.38 | -0.24 | -0.62 |
