Binding information for 1sw2_ligand_frag_1.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sw2_ligand_frag_1.mol2 | 1sw2 | 1 | -5.91 | CC(=O)O | 4 |
Structure and binding mode of 1sw2_ligand_frag_1.mol2(FDBF00004)
Important binding residues for 1sw2_ligand_frag_1.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sw2 | LYS13 | 0.23 | -79.37 | -79.14 | 65.61 | -13.52 |
| 1sw2 | PHE15 | -0.49 | -0.86 | -1.35 | 0.81 | -0.54 |
| 1sw2 | THR45 | -0.24 | 19.23 | 18.99 | -19.30 | -0.31 |
| 1sw2 | TYR63 | -0.87 | 0.34 | -0.53 | 0.13 | -0.40 |
| 1sw2 | THR66 | -0.14 | -7.81 | -7.95 | 7.46 | -0.48 |
| 1sw2 | ARG149 | -0.49 | -24.78 | -25.27 | 18.77 | -6.49 |
| 1sw2 | TYR190 | -0.60 | -0.29 | -0.89 | 0.58 | -0.31 |
