Binding information for 4og6_ligand_1_6.mol2(FDBF03202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og6_ligand_1_6.mol2 | 4og6 | 0.857143 | -6.44 | Oc1ccc(cc1)C#N | 9 |
Structure and binding mode of 4og6_ligand_1_6.mol2(FDBF03202)
Important binding residues for 4og6_ligand_1_6.mol2(FDBF03202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og6 | TYR319 | -1.07 | 0.79 | -0.28 | -0.54 | -0.82 |
| 4og6 | MET322 | -1.84 | 0.11 | -1.73 | -0.04 | -1.78 |
| 4og6 | TYR323 | -1.30 | 0.12 | -1.18 | 0.20 | -0.98 |
| 4og6 | ALA325 | -0.40 | -0.29 | -0.69 | 0.02 | -0.68 |
| 4og6 | GLY326 | -0.69 | 0.37 | -0.32 | -0.18 | -0.50 |
| 4og6 | TRP341 | -0.55 | -0.86 | -1.41 | 0.52 | -0.89 |
