Binding information for 4m3g_ligand_frag_0.mol2(FDBF01309)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3g_ligand_frag_0.mol2 | 4m3g | 1 | -5.94 | Cc1nccs1 | 6 |
Structure and binding mode of 4m3g_ligand_frag_0.mol2(FDBF01309)
Important binding residues for 4m3g_ligand_frag_0.mol2(FDBF01309)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3g | LEU87 | -0.72 | 0.09 | -0.63 | 0.04 | -0.59 |
| 4m3g | TRP103 | -1.91 | 0.07 | -1.84 | 0.25 | -1.59 |
| 4m3g | GLY106 | -0.49 | -1.04 | -1.53 | 0.38 | -1.14 |
| 4m3g | TYR148 | -1.18 | 0.45 | -0.73 | 0.18 | -0.56 |
| 4m3g | THR149 | -0.91 | -0.55 | -1.46 | 0.40 | -1.06 |
| 4m3g | VAL152 | -0.60 | -0.02 | -0.62 | -0.12 | -0.74 |
