Binding information for 4gm8_ligand_2_42.mol2(FDBF07658)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gm8_ligand_2_42.mol2 | 4gm8 | 0.933333 | -5.52 | C(C)C/N=C\O | 6 |
Structure and binding mode of 4gm8_ligand_2_42.mol2(FDBF07658)
Important binding residues for 4gm8_ligand_2_42.mol2(FDBF07658)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gm8 | TYR131 | -1.04 | -0.13 | -1.17 | 0.30 | -0.87 |
| 4gm8 | PHE133 | -0.68 | 0.10 | -0.58 | 0.15 | -0.43 |
| 4gm8 | PHE149 | -0.70 | -0.13 | -0.83 | 0.40 | -0.43 |
