Binding information for 1sln_ligand.mol2(FDBF01230)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sln_ligand.mol2 | 1sln | 0.6 | -9.57 | C[C@H](C(=O)O)[NH2+][C@@H](CCc1ccccc1)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)Nc1ccccc1 | 36 |
Structure and binding mode of 1sln_ligand.mol2(FDBF01230)
Important binding residues for 1sln_ligand.mol2(FDBF01230)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sln | ASP158 | -0.11 | -37.50 | -37.61 | 36.96 | -0.64 |
| 1sln | ASN162 | -1.23 | -4.17 | -5.4 | 2.83 | -2.57 |
| 1sln | VAL163 | -2.50 | 0.18 | -2.32 | -0.38 | -2.70 |
| 1sln | LEU164 | -2.76 | -1.49 | -4.25 | 0.03 | -4.22 |
| 1sln | ALA165 | -0.16 | -5.78 | -5.94 | 3.80 | -2.13 |
| 1sln | HIS166 | -0.70 | -1.58 | -2.28 | 1.80 | -0.48 |
| 1sln | ASP181 | -0.07 | -26.75 | -26.82 | 26.42 | -0.40 |
| 1sln | GLU184 | -0.18 | -27.59 | -27.77 | 27.41 | -0.36 |
| 1sln | VAL198 | -0.67 | 0.21 | -0.46 | -0.02 | -0.48 |
| 1sln | GLU202 | -0.08 | -23.28 | -23.36 | 20.73 | -2.63 |
| 1sln | HIS205 | -0.77 | -5.61 | -6.38 | 5.74 | -0.63 |
| 1sln | PRO221 | -1.17 | -2.49 | -3.66 | 2.40 | -1.26 |
| 1sln | LEU222 | -2.79 | -0.43 | -3.22 | -0.29 | -3.51 |
| 1sln | TYR223 | -1.83 | -3.38 | -5.21 | 2.58 | -2.63 |
