Binding information for 1pwq_ligand_2_0.mol2(FDBF06441)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pwq_ligand_2_0.mol2 | 1pwq | 0.5 | -5.06 | C=CSC | 4 |
Structure and binding mode of 1pwq_ligand_2_0.mol2(FDBF06441)
Important binding residues for 1pwq_ligand_2_0.mol2(FDBF06441)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pwq | LYS656 | -0.47 | 0.15 | -0.32 | -0.04 | -0.36 |
| 1pwq | SER672 | -0.47 | -0.45 | -0.92 | 0.53 | -0.39 |
