Binding information for 1snk_ligand_3_155.mol2(FDBF04053)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1snk_ligand_3_155.mol2 | 1snk | 0.96 | -6.35 | N(C(=O)O)CCC(C)C | 9 |
Structure and binding mode of 1snk_ligand_3_155.mol2(FDBF04053)
Important binding residues for 1snk_ligand_3_155.mol2(FDBF04053)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1snk | CYS25 | -0.40 | -0.19 | -0.59 | 0.19 | -0.39 |
| 1snk | TRP26 | -0.71 | -1.70 | -2.41 | 1.94 | -0.47 |
| 1snk | GLY65 | -0.77 | -3.25 | -4.02 | 2.36 | -1.65 |
| 1snk | TYR67 | -1.56 | -3.84 | -5.4 | 5.07 | -0.34 |
| 1snk | LEU160 | -0.86 | 1.60 | 0.74 | -1.09 | -0.34 |
| 1snk | ASN161 | -1.12 | 0.85 | -0.27 | -0.67 | -0.94 |
| 1snk | HIS162 | -1.00 | 1.36 | 0.36 | -1.17 | -0.82 |
| 1snk | ALA163 | -0.77 | -0.14 | -0.91 | 0.09 | -0.82 |
