Binding information for 4m3e_ligand_1_0.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3e_ligand_1_0.mol2 | 4m3e | 1 | -5.90 | CC(F)(F)F | 5 |
Structure and binding mode of 4m3e_ligand_1_0.mol2(FDBF00974)
Important binding residues for 4m3e_ligand_1_0.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3e | PHE110 | -1.08 | -0.40 | -1.48 | 0.17 | -1.30 |
| 4m3e | MET142 | -0.57 | -1.23 | -1.8 | 1.27 | -0.52 |
| 4m3e | TRP145 | -0.46 | -0.12 | -0.58 | 0.25 | -0.34 |
| 4m3e | ASN179 | -0.50 | 0.47 | -0.03 | -0.38 | -0.42 |
| 4m3e | GLU180 | -0.71 | 0.88 | 0.17 | -0.78 | -0.61 |
| 4m3e | LEU183 | -0.25 | -0.25 | -0.5 | 0.16 | -0.34 |
