Binding information for 4og4_ligand_3_25.mol2(FDBF02151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og4_ligand_3_25.mol2 | 4og4 | 1 | -5.77 | CCC[N@H+]1CC[C@@H](CC1)CO | 11 |
Structure and binding mode of 4og4_ligand_3_25.mol2(FDBF02151)
Important binding residues for 4og4_ligand_3_25.mol2(FDBF02151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og4 | MET278 | -0.81 | 16.55 | 15.74 | -16.04 | -0.31 |
| 4og4 | TYR319 | -2.00 | -0.90 | -2.9 | 1.05 | -1.85 |
| 4og4 | TYR323 | -1.53 | -0.93 | -2.46 | 1.67 | -0.79 |
