Binding information for 4m3f_ligand_frag_4.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3f_ligand_frag_4.mol2 | 4m3f | 1 | -6.80 | c1ccccc1 | 6 |
Structure and binding mode of 4m3f_ligand_frag_4.mol2(FDBF00005)
Important binding residues for 4m3f_ligand_frag_4.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4m3f | LEU87 | -0.53 | 0.10 | -0.43 | -0.03 | -0.46 |
| 4m3f | ILE107 | -0.50 | 0.13 | -0.37 | -0.02 | -0.39 |
| 4m3f | PHE110 | -1.10 | -0.07 | -1.17 | 0.47 | -0.70 |
| 4m3f | TRP207 | -1.11 | 0.23 | -0.88 | 0.39 | -0.49 |
