Binding information for 4og3_ligand_1_0.mol2(FDBF03202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og3_ligand_1_0.mol2 | 4og3 | 0.857143 | -6.43 | Oc1ccc(cc1)C#N | 9 |
Structure and binding mode of 4og3_ligand_1_0.mol2(FDBF03202)
Important binding residues for 4og3_ligand_1_0.mol2(FDBF03202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og3 | TYR319 | -1.02 | 0.77 | -0.25 | -0.53 | -0.78 |
| 4og3 | MET322 | -1.92 | -0.05 | -1.97 | 0.12 | -1.84 |
| 4og3 | TYR323 | -1.21 | 0.09 | -1.12 | 0.21 | -0.91 |
| 4og3 | ALA325 | -0.40 | -0.22 | -0.62 | -0.03 | -0.66 |
| 4og3 | GLY326 | -0.69 | 0.43 | -0.26 | -0.23 | -0.48 |
| 4og3 | TRP341 | -0.49 | -0.94 | -1.43 | 0.56 | -0.87 |
