Binding information for 4og3_ligand_3_25.mol2(FDBF02151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og3_ligand_3_25.mol2 | 4og3 | 1 | -5.71 | C(C)C[N@H+]1CC[C@@H](CC1)CO | 11 |
Structure and binding mode of 4og3_ligand_3_25.mol2(FDBF02151)
Important binding residues for 4og3_ligand_3_25.mol2(FDBF02151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og3 | TYR319 | -1.89 | -0.90 | -2.79 | 1.01 | -1.78 |
| 4og3 | TYR323 | -1.50 | -0.67 | -2.17 | 1.42 | -0.75 |
