Binding information for 3fu0_ligand_frag_0.mol2(FDBF00378)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fu0_ligand_frag_0.mol2 | 3fu0 | 1 | -6.77 | Fc1ccccc1 | 7 |
Structure and binding mode of 3fu0_ligand_frag_0.mol2(FDBF00378)
Important binding residues for 3fu0_ligand_frag_0.mol2(FDBF00378)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fu0 | GLN136 | -1.02 | 0.34 | -0.68 | -0.26 | -0.94 |
| 3fu0 | ALA137 | -0.83 | -0.07 | -0.9 | 0.07 | -0.82 |
| 3fu0 | TRP311 | -0.81 | -0.11 | -0.92 | 0.44 | -0.48 |
| 3fu0 | PHE314 | -1.11 | -0.01 | -1.12 | 0.58 | -0.54 |
| 3fu0 | TYR378 | -0.54 | -0.16 | -0.7 | 0.23 | -0.46 |
