Binding information for 4m3g_ligand_frag_1.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3g_ligand_frag_1.mol2 | 4m3g | 1 | -6.78 | c1ccccc1 | 6 |
Structure and binding mode of 4m3g_ligand_frag_1.mol2(FDBF00005)
Important binding residues for 4m3g_ligand_frag_1.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3g | LEU87 | -0.57 | 0.09 | -0.48 | -0.03 | -0.50 |
| 4m3g | GLY106 | -0.56 | 0.50 | -0.06 | -0.27 | -0.33 |
| 4m3g | ILE107 | -0.87 | 0.17 | -0.7 | -0.04 | -0.74 |
| 4m3g | PHE110 | -1.14 | -0.18 | -1.32 | 0.49 | -0.82 |
| 4m3g | TRP207 | -1.09 | 0.05 | -1.04 | 0.58 | -0.46 |
