Binding information for 4og3_ligand_2_0.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og3_ligand_2_0.mol2 | 4og3 | 0.805556 | -6.40 | O(c1ccc(cc1)C#N)C | 10 |
Structure and binding mode of 4og3_ligand_2_0.mol2(FDBF03203)
Important binding residues for 4og3_ligand_2_0.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og3 | TYR319 | -1.27 | -0.05 | -1.32 | 0.36 | -0.96 |
| 4og3 | MET322 | -1.96 | -0.03 | -1.99 | 0.22 | -1.77 |
| 4og3 | TYR323 | -1.81 | -0.13 | -1.94 | 0.28 | -1.66 |
| 4og3 | ALA325 | -0.41 | -0.22 | -0.63 | -0.04 | -0.66 |
| 4og3 | GLY326 | -0.69 | 0.54 | -0.15 | -0.32 | -0.48 |
| 4og3 | TRP341 | -0.49 | -0.84 | -1.33 | 0.45 | -0.87 |
