Binding information for 1pg2_ligand_1_2.mol2(FDBF00052)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pg2_ligand_1_2.mol2 | 1pg2 | 1 | -5.54 | CSC | 3 |
Structure and binding mode of 1pg2_ligand_1_2.mol2(FDBF00052)
Important binding residues for 1pg2_ligand_1_2.mol2(FDBF00052)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pg2 | ALA12 | -0.57 | -0.79 | -1.36 | 0.33 | -1.03 |
| 1pg2 | LEU13 | -1.38 | -0.82 | -2.2 | 1.03 | -1.17 |
| 1pg2 | TRP253 | -0.88 | -0.33 | -1.21 | 0.71 | -0.51 |
| 1pg2 | ALA256 | -0.75 | 0.13 | -0.62 | -0.13 | -0.76 |
| 1pg2 | PRO257 | -0.67 | -0.05 | -0.72 | 0.19 | -0.53 |
| 1pg2 | HIS301 | -0.59 | -0.78 | -1.37 | 0.98 | -0.40 |
