Binding information for 4og5_ligand_1_0.mol2(FDBF03202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og5_ligand_1_0.mol2 | 4og5 | 0.857143 | -6.44 | Oc1ccc(cc1)C#N | 9 |
Structure and binding mode of 4og5_ligand_1_0.mol2(FDBF03202)
Important binding residues for 4og5_ligand_1_0.mol2(FDBF03202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og5 | TYR319 | -1.08 | 0.71 | -0.37 | -0.51 | -0.87 |
| 4og5 | MET322 | -1.76 | 0.07 | -1.69 | 0.02 | -1.68 |
| 4og5 | TYR323 | -1.35 | 0.12 | -1.23 | 0.20 | -1.03 |
| 4og5 | ALA325 | -0.40 | -0.29 | -0.69 | 0.02 | -0.67 |
| 4og5 | GLY326 | -0.70 | 0.39 | -0.31 | -0.19 | -0.49 |
| 4og5 | TRP341 | -0.50 | -0.85 | -1.35 | 0.44 | -0.91 |
