Binding information for 1fmb_ligand_1_1.mol2(FDBF00318)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fmb_ligand_1_1.mol2 | 1fmb | 1 | -5.72 | [S](O)(O)C(C)(C)C | 7 |
Structure and binding mode of 1fmb_ligand_1_1.mol2(FDBF00318)
Important binding residues for 1fmb_ligand_1_1.mol2(FDBF00318)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fmb | THR30 | -0.58 | -0.20 | -0.78 | 0.33 | -0.44 |
| 1fmb | ILE53 | -1.24 | 2.33 | 1.09 | -2.47 | -1.37 |
| 1fmb | GLY54 | -0.74 | -2.55 | -3.29 | 2.54 | -0.76 |
