Binding information for 3fu6_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fu6_ligand_frag_0.mol2 | 3fu6 | 1 | -6.78 | c1ccccc1 | 6 |
Structure and binding mode of 3fu6_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 3fu6_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fu6 | GLN136 | -0.68 | -0.09 | -0.77 | 0.13 | -0.64 |
| 3fu6 | ALA137 | -0.59 | -0.27 | -0.86 | 0.12 | -0.74 |
| 3fu6 | TRP311 | -0.75 | -0.00 | -0.75 | 0.37 | -0.39 |
| 3fu6 | ALA377 | -0.22 | 0.12 | -0.1 | -0.31 | -0.41 |
| 3fu6 | TYR378 | -0.74 | -0.56 | -1.3 | 0.39 | -0.91 |
