Binding information for 2xfi_ligand_3_130.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xfi_ligand_3_130.mol2 | 2xfi | 1 | -7.27 | c1(ccccc1)CCNC=O | 11 |
Structure and binding mode of 2xfi_ligand_3_130.mol2(FDBF00143)
Important binding residues for 2xfi_ligand_3_130.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xfi | LEU91 | -0.70 | 0.80 | 0.1 | -0.73 | -0.63 |
| 2xfi | TYR132 | -1.90 | -1.11 | -3.01 | 1.01 | -1.99 |
| 2xfi | GLN134 | -1.50 | -2.11 | -3.61 | 2.33 | -1.28 |
| 2xfi | PHE169 | -1.34 | -0.38 | -1.72 | 0.98 | -0.73 |
| 2xfi | ILE179 | -0.71 | 0.07 | -0.64 | -0.15 | -0.80 |
| 2xfi | GLY291 | -0.64 | -2.17 | -2.81 | 1.96 | -0.86 |
| 2xfi | THR292 | -0.90 | 0.01 | -0.89 | 0.52 | -0.37 |
