Binding information for 1cj1_ligand_frag_12.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cj1_ligand_frag_12.mol2 | 1cj1 | 1 | -5.38 | C(=O)N | 3 |
Structure and binding mode of 1cj1_ligand_frag_12.mol2(FDBF00003)
Important binding residues for 1cj1_ligand_frag_12.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cj1 | PHE108 | -0.95 | -1.78 | -2.73 | 0.88 | -1.85 |
| 1cj1 | LYS109 | -0.03 | -6.05 | -6.08 | 3.67 | -2.41 |
| 1cj1 | LEU120 | -0.46 | -2.80 | -3.26 | 2.34 | -0.91 |
| 1cj1 | TRP121 | -0.41 | -0.89 | -1.3 | 0.75 | -0.55 |
