Binding information for 3fun_ligand_frag_2.mol2(FDBF00656)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fun_ligand_frag_2.mol2 | 3fun | 0.464286 | -5.99 | c1cscc1 | 5 |
Structure and binding mode of 3fun_ligand_frag_2.mol2(FDBF00656)
Important binding residues for 3fun_ligand_frag_2.mol2(FDBF00656)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fun | PHE314 | -0.50 | 0.14 | -0.36 | -0.14 | -0.50 |
| 3fun | VAL367 | -0.91 | -0.04 | -0.95 | 0.01 | -0.94 |
| 3fun | VAL381 | -0.86 | -0.17 | -1.03 | -0.43 | -1.46 |
| 3fun | PRO382 | -1.22 | -0.27 | -1.49 | 0.26 | -1.23 |
