Binding information for 1c5y_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c5y_ligand_frag_0.mol2 | 1c5y | 1 | -5.49 | C(=N)N | 3 |
Structure and binding mode of 1c5y_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1c5y_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c5y | ASP189 | 0.48 | -10.15 | -9.67 | 8.05 | -1.62 |
| 1c5y | GLY216 | -0.44 | -0.55 | -0.99 | 0.36 | -0.62 |
| 1c5y | GLY219 | 0.22 | 0.06 | 0.28 | -1.04 | -0.76 |
| 1c5y | GLY226 | -0.30 | -1.32 | -1.62 | 0.62 | -1.01 |
