Binding information for 2xfi_ligand_2_34.mol2(FDBF00028)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_2_34.mol2 | 2xfi | 1 | -5.86 | CCNC=O | 5 |
Structure and binding mode of 2xfi_ligand_2_34.mol2(FDBF00028)
Important binding residues for 2xfi_ligand_2_34.mol2(FDBF00028)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfi | TYR132 | -1.18 | -1.22 | -2.4 | 0.90 | -1.50 |
| 2xfi | GLN134 | -0.75 | -1.82 | -2.57 | 0.97 | -1.61 |
| 2xfi | ILE179 | -0.27 | 0.09 | -0.18 | -0.14 | -0.31 |
| 2xfi | GLY291 | -0.22 | -2.70 | -2.92 | 2.03 | -0.88 |
| 2xfi | THR292 | -0.80 | 0.01 | -0.79 | 0.44 | -0.35 |
