Binding information for 2xfi_ligand_1_5.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_1_5.mol2 | 2xfi | 1 | -5.53 | N(C=O)C | 4 |
Structure and binding mode of 2xfi_ligand_1_5.mol2(FDBF00024)
Important binding residues for 2xfi_ligand_1_5.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfi | TYR132 | -0.98 | -1.25 | -2.23 | 0.78 | -1.46 |
| 2xfi | GLN134 | -0.70 | -1.84 | -2.54 | 0.93 | -1.60 |
| 2xfi | GLY291 | 0.05 | -2.77 | -2.72 | 1.99 | -0.73 |
| 2xfi | THR292 | -0.74 | -0.02 | -0.76 | 0.42 | -0.34 |
