Binding information for 4og7_ligand_3_46.mol2(FDBF02151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og7_ligand_3_46.mol2 | 4og7 | 1 | -5.80 | C(CC)[N@@H+]1CC[C@H](CC1)CO | 11 |
Structure and binding mode of 4og7_ligand_3_46.mol2(FDBF02151)
Important binding residues for 4og7_ligand_3_46.mol2(FDBF02151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og7 | MET278 | -1.10 | 17.72 | 16.62 | -17.21 | -0.60 |
| 4og7 | TYR319 | -1.99 | -1.07 | -3.06 | 1.03 | -2.02 |
| 4og7 | TYR323 | -1.74 | -0.81 | -2.55 | 1.77 | -0.79 |
