Binding information for 1pro_ligand_2_35.mol2(FDBF03582)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pro_ligand_2_35.mol2 | 1pro | 1 | -6.48 | c1(ccc(c(c1)OC)O)C | 10 |
Structure and binding mode of 1pro_ligand_2_35.mol2(FDBF03582)
Important binding residues for 1pro_ligand_2_35.mol2(FDBF03582)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pro | ALA28 | -1.47 | -1.13 | -2.6 | 0.21 | -2.39 |
| 1pro | ASP29 | -1.49 | -0.60 | -2.09 | 1.31 | -0.78 |
| 1pro | ASP30 | -0.44 | -0.19 | -0.63 | -0.10 | -0.72 |
| 1pro | ILE47 | -0.66 | -1.22 | -1.88 | 1.34 | -0.54 |
| 1pro | ILE84 | -0.66 | 0.01 | -0.65 | -0.04 | -0.69 |
