Binding information for 2fm0_ligand_1_0.mol2(FDBF05121)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fm0_ligand_1_0.mol2 | 2fm0 | 0.555556 | -5.48 | OC(F)F | 4 |
Structure and binding mode of 2fm0_ligand_1_0.mol2(FDBF05121)
Important binding residues for 2fm0_ligand_1_0.mol2(FDBF05121)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fm0 | TRP332 | -0.41 | 0.13 | -0.28 | -0.24 | -0.52 |
| 2fm0 | THR333 | -0.77 | -1.17 | -1.94 | 0.17 | -1.77 |
| 2fm0 | GLN369 | -0.66 | -1.78 | -2.44 | 0.96 | -1.48 |
| 2fm0 | PHE372 | -0.41 | -0.16 | -0.57 | 0.21 | -0.36 |
