Binding information for 3fuk_ligand_2_5.mol2(FDBF02363)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fuk_ligand_2_5.mol2 | 3fuk | 1 | -7.32 | [C@@H]1(CC[C@H]2[C@H](C1)CC[NH2+]2)OC | 11 |
Structure and binding mode of 3fuk_ligand_2_5.mol2(FDBF02363)
Important binding residues for 3fuk_ligand_2_5.mol2(FDBF02363)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fuk | ALA137 | -0.83 | -0.41 | -1.24 | 0.45 | -0.79 |
| 3fuk | TRP311 | -1.11 | -0.54 | -1.65 | 1.09 | -0.56 |
| 3fuk | PHE314 | -2.15 | 0.75 | -1.4 | 0.35 | -1.05 |
| 3fuk | ALA377 | -0.36 | 0.05 | -0.31 | -0.23 | -0.54 |
| 3fuk | TYR378 | -1.04 | -0.81 | -1.85 | 0.90 | -0.94 |
