Binding information for 4og5_ligand_2_0.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og5_ligand_2_0.mol2 | 4og5 | 0.805556 | -6.41 | COc1ccc(cc1)C#N | 10 |
Structure and binding mode of 4og5_ligand_2_0.mol2(FDBF03203)
Important binding residues for 4og5_ligand_2_0.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og5 | TYR319 | -1.31 | -0.05 | -1.36 | 0.30 | -1.07 |
| 4og5 | MET322 | -1.79 | 0.18 | -1.61 | 0.03 | -1.58 |
| 4og5 | TYR323 | -1.96 | -0.19 | -2.15 | 0.31 | -1.84 |
| 4og5 | ALA325 | -0.41 | -0.27 | -0.68 | -0.01 | -0.68 |
| 4og5 | GLY326 | -0.71 | 0.51 | -0.2 | -0.29 | -0.49 |
| 4og5 | TRP341 | -0.50 | -0.84 | -1.34 | 0.43 | -0.91 |
