Binding information for 4uiw_ligand_frag_4.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uiw_ligand_frag_4.mol2 | 4uiw | 1 | -5.22 | C(=N)N | 3 |
Structure and binding mode of 4uiw_ligand_frag_4.mol2(FDBF00001)
Important binding residues for 4uiw_ligand_frag_4.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uiw | ILE53 | 0.33 | -3.20 | -2.87 | 1.95 | -0.92 |
| 4uiw | ALA54 | -0.53 | 0.28 | -0.25 | -0.27 | -0.51 |
| 4uiw | TYR99 | -0.28 | -0.60 | -0.88 | 0.50 | -0.38 |
| 4uiw | TYR106 | -0.52 | -0.58 | -1.1 | 0.59 | -0.52 |
