Binding information for 4m3f_ligand_1_1.mol2(FDBF06441)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_1_1.mol2 | 4m3f | 0.416667 | -5.58 | O[S](O)NC | 5 |
Structure and binding mode of 4m3f_ligand_1_1.mol2(FDBF06441)
Important binding residues for 4m3f_ligand_1_1.mol2(FDBF06441)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3f | ILE107 | -0.51 | -1.02 | -1.53 | 1.07 | -0.46 |
| 4m3f | PHE110 | -1.72 | -2.10 | -3.82 | 0.10 | -3.72 |
| 4m3f | MET142 | -0.48 | -2.30 | -2.78 | 2.16 | -0.62 |
| 4m3f | TRP145 | -0.88 | -0.93 | -1.81 | 1.09 | -0.72 |
| 4m3f | ASN179 | -0.45 | 2.66 | 2.21 | -3.71 | -1.49 |
| 4m3f | GLU180 | -0.21 | -17.14 | -17.35 | 16.99 | -0.36 |
| 4m3f | TRP207 | -0.31 | -13.56 | -13.87 | 13.25 | -0.62 |
