Binding information for 4gm8_ligand_3_196.mol2(FDBF07592)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gm8_ligand_3_196.mol2 | 4gm8 | 0.9375 | -5.86 | C(C)C(CC)/N=C\O | 8 |
Structure and binding mode of 4gm8_ligand_3_196.mol2(FDBF07592)
Important binding residues for 4gm8_ligand_3_196.mol2(FDBF07592)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gm8 | SER106 | -0.07 | -0.07 | -0.14 | -0.22 | -0.35 |
| 4gm8 | TYR131 | -1.73 | -0.15 | -1.88 | 0.55 | -1.33 |
| 4gm8 | PHE133 | -0.64 | 0.10 | -0.54 | 0.19 | -0.35 |
| 4gm8 | PHE149 | -0.77 | -0.15 | -0.92 | 0.48 | -0.44 |
