Binding information for 4m3d_ligand_frag_8.mol2(FDBF00177)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3d_ligand_frag_8.mol2 | 4m3d | 1 | -5.38 | C(F)(F)F | 4 |
Structure and binding mode of 4m3d_ligand_frag_8.mol2(FDBF00177)
Important binding residues for 4m3d_ligand_frag_8.mol2(FDBF00177)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3d | PHE110 | -0.62 | -0.33 | -0.95 | 0.12 | -0.84 |
| 4m3d | ASN179 | -0.40 | 0.42 | 0.02 | -0.49 | -0.47 |
| 4m3d | GLU180 | -0.67 | 0.88 | 0.21 | -0.78 | -0.57 |
