Binding information for 2pog_ligand_frag_1.mol2(FDBF01886)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pog_ligand_frag_1.mol2 | 2pog | 0.47619 | -6.54 | C1=CCC(=O)C=C1 | 7 |
Structure and binding mode of 2pog_ligand_frag_1.mol2(FDBF01886)
Important binding residues for 2pog_ligand_frag_1.mol2(FDBF01886)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2pog | LEU346 | -0.75 | -0.46 | -1.21 | 0.49 | -0.72 |
| 2pog | LEU349 | -0.73 | 0.46 | -0.27 | -0.41 | -0.67 |
| 2pog | ALA350 | -0.74 | 0.34 | -0.4 | -0.39 | -0.79 |
| 2pog | LEU387 | -1.55 | 0.46 | -1.09 | -0.29 | -1.37 |
| 2pog | MET388 | -0.50 | 0.31 | -0.19 | -0.24 | -0.44 |
| 2pog | LEU391 | -0.90 | 0.14 | -0.76 | -0.08 | -0.84 |
| 2pog | ARG394 | 0.01 | -8.87 | -8.86 | 6.68 | -2.17 |
| 2pog | PHE404 | -1.20 | 0.52 | -0.68 | -0.46 | -1.14 |
