Binding information for 4kn0_ligand_2_11.mol2(FDBF00050)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kn0_ligand_2_11.mol2 | 4kn0 | 1 | -6.95 | c1(ccc(cc1)NC)C(=O)N | 11 |
Structure and binding mode of 4kn0_ligand_2_11.mol2(FDBF00050)
Important binding residues for 4kn0_ligand_2_11.mol2(FDBF00050)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kn0 | TYR76 | -1.19 | 0.05 | -1.14 | 0.20 | -0.94 |
| 4kn0 | PHE78 | -1.47 | -0.58 | -2.05 | 0.75 | -1.30 |
| 4kn0 | TRP118 | -1.59 | -0.30 | -1.89 | 0.87 | -1.03 |
| 4kn0 | HIS151 | -0.78 | -2.89 | -3.67 | 2.25 | -1.42 |
| 4kn0 | TRP156 | -1.62 | 1.91 | 0.29 | -1.02 | -0.72 |
