Binding information for 1qiw_ligand_5_6074.mol2(FDBF04002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qiw_ligand_5_6074.mol2 | 1qiw | 0.636364 | -6.47 | O(CC)c1cc(CC)ccc1O | 12 |
Structure and binding mode of 1qiw_ligand_5_6074.mol2(FDBF04002)
Important binding residues for 1qiw_ligand_5_6074.mol2(FDBF04002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qiw | PHE12 | -1.61 | -0.09 | -1.7 | 0.64 | -1.06 |
| 1qiw | MET72 | -0.61 | -0.10 | -0.71 | 0.12 | -0.58 |
| 1qiw | MET76 | -0.93 | -0.16 | -1.09 | 0.76 | -0.33 |
| 1qiw | MET145 | -1.72 | -0.11 | -1.83 | 0.53 | -1.31 |
