Binding information for 2fm5_ligand_1_0.mol2(FDBF05121)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fm5_ligand_1_0.mol2 | 2fm5 | 0.555556 | -5.47 | FC(F)O | 4 |
Structure and binding mode of 2fm5_ligand_1_0.mol2(FDBF05121)
Important binding residues for 2fm5_ligand_1_0.mol2(FDBF05121)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fm5 | TRP332 | -0.49 | 0.18 | -0.31 | -0.21 | -0.51 |
| 2fm5 | THR333 | -0.80 | -1.12 | -1.92 | 0.16 | -1.76 |
| 2fm5 | ILE336 | -0.06 | -0.02 | -0.08 | -0.26 | -0.33 |
| 2fm5 | GLN369 | -0.60 | -1.86 | -2.46 | 0.87 | -1.59 |
| 2fm5 | PHE372 | -0.42 | -0.16 | -0.58 | 0.22 | -0.36 |
