Binding information for 4m3d_ligand_1_7.mol2(FDBF00974)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3d_ligand_1_7.mol2 | 4m3d | 1 | -5.90 | CC(F)(F)F | 5 |
Structure and binding mode of 4m3d_ligand_1_7.mol2(FDBF00974)
Important binding residues for 4m3d_ligand_1_7.mol2(FDBF00974)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3d | PHE110 | -1.09 | -0.46 | -1.55 | 0.23 | -1.31 |
| 4m3d | TRP145 | -0.60 | -0.20 | -0.8 | 0.27 | -0.52 |
| 4m3d | ASN179 | -0.55 | 0.48 | -0.07 | -0.44 | -0.51 |
| 4m3d | GLU180 | -0.79 | 1.08 | 0.29 | -0.92 | -0.63 |
