Binding information for 1c5t_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c5t_ligand_frag_0.mol2 | 1c5t | 1 | -5.52 | C(=N)N | 3 |
Structure and binding mode of 1c5t_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1c5t_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c5t | ASP189 | 0.29 | -9.61 | -9.32 | 7.86 | -1.47 |
| 1c5t | SER190 | -0.32 | -2.19 | -2.51 | 1.21 | -1.30 |
| 1c5t | CYS191 | -0.40 | -0.47 | -0.87 | 0.45 | -0.42 |
| 1c5t | GLY216 | -0.45 | -1.10 | -1.55 | 0.67 | -0.88 |
| 1c5t | GLY226 | -0.36 | -0.47 | -0.83 | -0.01 | -0.83 |
