Binding information for 1gfw_ligand_frag_0.mol2(FDBF02042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gfw_ligand_frag_0.mol2 | 1gfw | 1 | -5.95 | [S](N1CCCC1)(O)O | 8 |
Structure and binding mode of 1gfw_ligand_frag_0.mol2(FDBF02042)
Important binding residues for 1gfw_ligand_frag_0.mol2(FDBF02042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gfw | SER205 | -0.65 | -4.49 | -5.14 | 4.06 | -1.08 |
| 1gfw | TRP206 | -1.84 | -1.77 | -3.61 | 1.76 | -1.84 |
| 1gfw | ARG207 | -1.76 | 26.09 | 24.33 | -24.67 | -0.34 |
| 1gfw | PHE256 | -0.57 | -0.69 | -1.26 | 0.91 | -0.35 |
