Binding information for 1sln_ligand_2_1.mol2(FDBF01687)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sln_ligand_2_1.mol2 | 1sln | 1 | -5.91 | CC[NH2+][C@H](C)C(=O)O | 8 |
Structure and binding mode of 1sln_ligand_2_1.mol2(FDBF01687)
Important binding residues for 1sln_ligand_2_1.mol2(FDBF01687)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sln | ALA165 | 0.31 | -4.66 | -4.35 | 3.20 | -1.14 |
| 1sln | HIS166 | -0.61 | -1.23 | -1.84 | 1.39 | -0.44 |
| 1sln | GLU202 | 0.04 | -10.99 | -10.95 | 8.98 | -1.96 |
| 1sln | HIS205 | -0.69 | 3.07 | 2.38 | -2.87 | -0.50 |
| 1sln | HIS211 | -0.33 | 1.98 | 1.65 | -2.06 | -0.41 |
| 1sln | PRO221 | -0.40 | -0.62 | -1.02 | 0.70 | -0.33 |
