Binding information for 1c4u_ligand_frag_8.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c4u_ligand_frag_8.mol2 | 1c4u | 1 | -5.35 | C(=N)N | 3 |
Structure and binding mode of 1c4u_ligand_frag_8.mol2(FDBF00001)
Important binding residues for 1c4u_ligand_frag_8.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c4u | ASP189 | 1.70 | -10.37 | -8.67 | 8.12 | -0.55 |
| 1c4u | ALA190 | -0.79 | 0.38 | -0.41 | -0.07 | -0.47 |
| 1c4u | CYS191 | -0.39 | -0.51 | -0.9 | 0.43 | -0.48 |
| 1c4u | TRP215 | -0.31 | -0.71 | -1.02 | 0.71 | -0.32 |
| 1c4u | GLY216 | -0.52 | -0.38 | -0.9 | 0.10 | -0.80 |
