Binding information for 4gm3_ligand_5_2072.mol2(FDBF05640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gm3_ligand_5_2072.mol2 | 4gm3 | 0.642857 | -5.96 | C(=O)(NC/C=C/C)C | 8 |
Structure and binding mode of 4gm3_ligand_5_2072.mol2(FDBF05640)
Important binding residues for 4gm3_ligand_5_2072.mol2(FDBF05640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gm3 | SER49 | -0.56 | -0.07 | -0.63 | 0.32 | -0.31 |
| 4gm3 | ILE305 | -0.69 | -0.12 | -0.81 | 0.09 | -0.72 |
