Binding information for 1sw2_ligand_frag_0.mol2(FDBF00064)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sw2_ligand_frag_0.mol2 | 1sw2 | 1 | -5.63 | [NH+](C)(C)C | 4 |
Structure and binding mode of 1sw2_ligand_frag_0.mol2(FDBF00064)
Important binding residues for 1sw2_ligand_frag_0.mol2(FDBF00064)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sw2 | PHE15 | -0.44 | 0.11 | -0.33 | -0.02 | -0.35 |
| 1sw2 | TYR63 | -1.07 | -0.88 | -1.95 | 0.49 | -1.47 |
| 1sw2 | THR66 | -0.23 | 0.37 | 0.14 | -0.77 | -0.63 |
| 1sw2 | TYR111 | -1.59 | -2.99 | -4.58 | 2.31 | -2.27 |
| 1sw2 | TYR190 | -1.24 | -0.02 | -1.26 | -0.39 | -1.65 |
| 1sw2 | TYR214 | -0.88 | -1.73 | -2.61 | 1.64 | -0.96 |
