Binding information for 4gm8_ligand_3_404.mol2(FDBF07658)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gm8_ligand_3_404.mol2 | 4gm8 | 0.933333 | -5.52 | C(CC)/N=C\O | 6 |
Structure and binding mode of 4gm8_ligand_3_404.mol2(FDBF07658)
Important binding residues for 4gm8_ligand_3_404.mol2(FDBF07658)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gm8 | PHE133 | -0.84 | 0.08 | -0.76 | 0.29 | -0.46 |
