Binding information for 1sbg_ligand_4_709.mol2(FDBF04192)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sbg_ligand_4_709.mol2 | 1sbg | 0.803279 | -6.78 | CC(=O)N[C@H](c1[nH+]cc[nH]1)C(C)C | 13 |
Structure and binding mode of 1sbg_ligand_4_709.mol2(FDBF04192)
Important binding residues for 1sbg_ligand_4_709.mol2(FDBF04192)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sbg | ILE50 | -1.10 | -0.77 | -1.87 | 0.64 | -1.24 |
| 1sbg | GLY27 | -1.05 | -0.64 | -1.69 | 1.25 | -0.43 |
| 1sbg | ALA28 | -1.15 | -1.41 | -2.56 | 0.50 | -2.07 |
| 1sbg | GLY48 | -0.28 | -3.92 | -4.2 | 2.66 | -1.54 |
| 1sbg | GLY49 | -0.73 | -1.79 | -2.52 | 1.40 | -1.12 |
| 1sbg | ILE50 | -0.32 | -0.06 | -0.38 | 0.04 | -0.33 |
| 1sbg | ILE84 | -0.63 | -0.01 | -0.64 | 0.00 | -0.64 |
