Binding information for 3fuj_ligand_1_0.mol2(FDBF00209)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fuj_ligand_1_0.mol2 | 3fuj | 1 | -6.12 | C1CCC[NH+]1C | 6 |
Structure and binding mode of 3fuj_ligand_1_0.mol2(FDBF00209)
Important binding residues for 3fuj_ligand_1_0.mol2(FDBF00209)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fuj | TYR267 | -2.33 | 0.44 | -1.89 | 1.08 | -0.81 |
| 3fuj | MET270 | -0.69 | 0.13 | -0.56 | 0.23 | -0.33 |
