Binding information for 2ipo_ligand_1_0.mol2(FDBF01681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ipo_ligand_1_0.mol2 | 2ipo | 0.571429 | -6.10 | OP(=O)(O)C | 5 |
Structure and binding mode of 2ipo_ligand_1_0.mol2(FDBF01681)
Important binding residues for 2ipo_ligand_1_0.mol2(FDBF01681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ipo | THR55 | -0.62 | -4.05 | -4.67 | 3.58 | -1.09 |
| 2ipo | ARG105 | 0.40 | -5.72 | -5.32 | 4.95 | -0.37 |
| 2ipo | PRO268 | -0.56 | -0.55 | -1.11 | 0.31 | -0.80 |
