Binding information for 1c5n_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1c5n_ligand_frag_0.mol2 | 1c5n | 1 | -5.36 | C(=N)N | 3 |
Structure and binding mode of 1c5n_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1c5n_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1c5n | GLY216 | -0.16 | -1.41 | -1.57 | 0.72 | -0.85 |
| 1c5n | CYS220 | -0.43 | 0.49 | 0.06 | -0.48 | -0.43 |
| 1c5n | GLY226 | -0.35 | -0.09 | -0.44 | -0.15 | -0.59 |
