Binding information for 2xfi_ligand_2_19.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_2_19.mol2 | 2xfi | 1 | -5.94 | CC(C)O | 4 |
Structure and binding mode of 2xfi_ligand_2_19.mol2(FDBF00042)
Important binding residues for 2xfi_ligand_2_19.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfi | GLY95 | -0.61 | 1.10 | 0.49 | -1.21 | -0.72 |
| 2xfi | SER96 | -0.43 | 0.25 | -0.18 | -0.22 | -0.40 |
| 2xfi | TYR132 | -0.89 | -0.70 | -1.59 | 0.96 | -0.63 |
| 2xfi | GLY291 | -0.67 | 0.30 | -0.37 | -0.23 | -0.60 |
