Binding information for 4m3g_ligand_1_4.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3g_ligand_1_4.mol2 | 4m3g | 1 | -5.86 | C(F)(F)(F)C | 5 |
Structure and binding mode of 4m3g_ligand_1_4.mol2(FDBF00974)
Important binding residues for 4m3g_ligand_1_4.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3g | PHE110 | -0.74 | -0.03 | -0.77 | 0.09 | -0.68 |
| 4m3g | MET142 | -0.38 | -0.95 | -1.33 | 0.88 | -0.45 |
| 4m3g | ASN176 | -0.58 | -0.17 | -0.75 | 0.41 | -0.34 |
| 4m3g | GLU180 | -0.82 | -0.46 | -1.28 | 0.41 | -0.86 |
