Binding information for 3fuf_ligand.mol2(FDBF00565)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fuf_ligand.mol2 | 3fuf | 0.4 | -6.94 | c1cc(cc2c1[nH]cc2)F | 11 |
Structure and binding mode of 3fuf_ligand.mol2(FDBF00565)
Important binding residues for 3fuf_ligand.mol2(FDBF00565)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fuf | VAL367 | -0.71 | -0.09 | -0.8 | -0.05 | -0.85 |
| 3fuf | LEU369 | -0.84 | 0.33 | -0.51 | -0.26 | -0.76 |
| 3fuf | PRO374 | -0.44 | -0.24 | -0.68 | 0.35 | -0.33 |
| 3fuf | ALA377 | -0.89 | -0.45 | -1.34 | 0.63 | -0.71 |
| 3fuf | TYR378 | -0.86 | -0.58 | -1.44 | 0.51 | -0.93 |
| 3fuf | VAL381 | -0.16 | 0.07 | -0.09 | -0.23 | -0.32 |
| 3fuf | PRO382 | -1.12 | -0.26 | -1.38 | 0.17 | -1.21 |
