Binding information for 4og4_ligand_1_0.mol2(FDBF03202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og4_ligand_1_0.mol2 | 4og4 | 0.857143 | -6.44 | c1cc(ccc1O)C#N | 9 |
Structure and binding mode of 4og4_ligand_1_0.mol2(FDBF03202)
Important binding residues for 4og4_ligand_1_0.mol2(FDBF03202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og4 | TYR319 | -1.05 | -0.20 | -1.25 | 0.43 | -0.82 |
| 4og4 | MET322 | -1.27 | -0.04 | -1.31 | 0.14 | -1.17 |
| 4og4 | TYR323 | -1.30 | -0.07 | -1.37 | 0.27 | -1.10 |
| 4og4 | ALA325 | -0.42 | -0.30 | -0.72 | -0.02 | -0.74 |
| 4og4 | GLY326 | -0.73 | 0.56 | -0.17 | -0.34 | -0.50 |
| 4og4 | TRP341 | -0.49 | -0.78 | -1.27 | 0.40 | -0.87 |
