Binding information for 4og5_ligand_3_25.mol2(FDBF02151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4og5_ligand_3_25.mol2 | 4og5 | 1 | -5.82 | C(C)C[N@@H+]1CC[C@H](CC1)CO | 11 |
Structure and binding mode of 4og5_ligand_3_25.mol2(FDBF02151)
Important binding residues for 4og5_ligand_3_25.mol2(FDBF02151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4og5 | MET278 | -1.20 | 18.14 | 16.94 | -17.42 | -0.48 |
| 4og5 | TYR319 | -1.99 | -1.00 | -2.99 | 1.06 | -1.93 |
| 4og5 | TYR323 | -1.52 | -0.80 | -2.32 | 1.86 | -0.46 |
