Binding information for 4m3g_ligand_1_2.mol2(FDBF06441)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3g_ligand_1_2.mol2 | 4m3g | 0.416667 | -5.58 | CN[S](O)O | 5 |
Structure and binding mode of 4m3g_ligand_1_2.mol2(FDBF06441)
Important binding residues for 4m3g_ligand_1_2.mol2(FDBF06441)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3g | ILE107 | -0.44 | -1.11 | -1.55 | 1.16 | -0.39 |
| 4m3g | PHE110 | -1.72 | -1.85 | -3.57 | 0.42 | -3.15 |
| 4m3g | MET142 | -0.45 | -21.24 | -21.69 | 20.65 | -1.04 |
| 4m3g | TRP145 | -0.85 | -0.99 | -1.84 | 1.27 | -0.57 |
| 4m3g | ASN179 | -0.34 | 2.38 | 2.04 | -3.52 | -1.49 |
| 4m3g | GLU180 | -0.25 | -17.20 | -17.45 | 17.07 | -0.37 |
