Binding information for 2yjw_ligand_frag_0.mol2(FDBF00686)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yjw_ligand_frag_0.mol2 | 2yjw | 1 | -5.93 | n1ccc(o1)C | 6 |
Structure and binding mode of 2yjw_ligand_frag_0.mol2(FDBF00686)
Important binding residues for 2yjw_ligand_frag_0.mol2(FDBF00686)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yjw | ALA55 | -0.96 | -0.14 | -1.1 | -0.04 | -1.13 |
| 2yjw | ILE96 | -0.70 | -0.22 | -0.92 | 0.06 | -0.86 |
| 2yjw | GLY97 | -0.87 | -1.24 | -2.11 | 1.05 | -1.07 |
| 2yjw | MET98 | -1.47 | -0.15 | -1.62 | 0.21 | -1.41 |
