Binding information for 1c5s_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c5s_ligand_frag_0.mol2 | 1c5s | 1 | -5.46 | C(=N)N | 3 |
Structure and binding mode of 1c5s_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1c5s_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c5s | ASP189 | 0.68 | -10.41 | -9.73 | 8.84 | -0.89 |
| 1c5s | SER190 | 0.41 | -2.49 | -2.08 | 1.44 | -0.64 |
| 1c5s | CYS191 | -0.35 | -0.38 | -0.73 | 0.35 | -0.38 |
| 1c5s | GLY216 | -0.26 | -1.36 | -1.62 | 0.59 | -1.03 |
| 1c5s | CYS220 | -0.50 | 0.72 | 0.22 | -0.77 | -0.56 |
| 1c5s | GLY226 | -0.39 | -0.48 | -0.87 | 0.00 | -0.86 |
