Binding information for 1ciz_ligand_frag_0.mol2(FDBF00670)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ciz_ligand_frag_0.mol2 | 1ciz | 1 | -6.28 | [NH2+]1CCCCC1 | 6 |
Structure and binding mode of 1ciz_ligand_frag_0.mol2(FDBF00670)
Important binding residues for 1ciz_ligand_frag_0.mol2(FDBF00670)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ciz | VAL198 | -0.61 | -0.93 | -1.54 | 0.91 | -0.64 |
| 1ciz | HIS201 | -1.48 | 1.13 | -0.35 | -1.00 | -1.36 |
| 1ciz | LEU218 | -1.12 | -4.24 | -5.36 | 4.89 | -0.47 |
| 1ciz | TYR220 | -0.72 | -4.89 | -5.61 | 4.78 | -0.83 |
| 1ciz | HIS224 | -1.68 | -1.83 | -3.51 | 2.81 | -0.71 |
| 1ciz | ASP238 | -0.02 | -28.70 | -28.72 | 28.40 | -0.33 |
