Binding information for 3fuj_ligand_2_0.mol2(FDBF00847)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fuj_ligand_2_0.mol2 | 3fuj | 1 | -6.46 | CC[NH+]1CCCC1 | 7 |
Structure and binding mode of 3fuj_ligand_2_0.mol2(FDBF00847)
Important binding residues for 3fuj_ligand_2_0.mol2(FDBF00847)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fuj | ALA137 | -0.43 | 0.04 | -0.39 | -0.06 | -0.45 |
| 3fuj | TYR267 | -2.39 | 0.39 | -2 | 1.29 | -0.71 |
| 3fuj | MET270 | -0.70 | 0.14 | -0.56 | 0.23 | -0.33 |
