Binding information for 3ihz_ligand_1_4.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ihz_ligand_1_4.mol2 | 3ihz | 0.653846 | -6.66 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
Structure and binding mode of 3ihz_ligand_1_4.mol2(FDBF07641)
Important binding residues for 3ihz_ligand_1_4.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ihz | ILE74 | -0.67 | -0.06 | -0.73 | 0.05 | -0.67 |
| 3ihz | PHE54 | -0.74 | -0.16 | -0.9 | 0.57 | -0.33 |
| 3ihz | CYS105 | -0.53 | -3.99 | -4.52 | 2.75 | -1.77 |
| 3ihz | GLY106 | -0.74 | -1.16 | -1.9 | 0.94 | -0.96 |
| 3ihz | SER108 | -0.29 | -1.27 | -1.56 | 0.64 | -0.92 |
| 3ihz | ILE109 | -1.10 | 0.01 | -1.09 | 0.07 | -1.02 |
