Binding information for 3fu6_ligand_frag_1.mol2(FDBF00656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fu6_ligand_frag_1.mol2 | 3fu6 | 0.464286 | -5.92 | c1cccs1 | 5 |
Structure and binding mode of 3fu6_ligand_frag_1.mol2(FDBF00656)
Important binding residues for 3fu6_ligand_frag_1.mol2(FDBF00656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fu6 | PHE314 | -0.65 | -0.11 | -0.76 | 0.11 | -0.65 |
| 3fu6 | VAL367 | -0.47 | -0.00 | -0.47 | -0.05 | -0.52 |
| 3fu6 | LEU369 | -0.66 | 0.05 | -0.61 | -0.03 | -0.64 |
| 3fu6 | PRO374 | -0.50 | 0.15 | -0.35 | 0.03 | -0.33 |
| 3fu6 | ALA377 | -0.67 | -0.16 | -0.83 | -0.00 | -0.83 |
| 3fu6 | TYR378 | -0.59 | -0.06 | -0.65 | 0.16 | -0.50 |
| 3fu6 | PRO382 | -0.40 | -0.17 | -0.57 | 0.11 | -0.47 |
