Binding information for 7std_ligand_1_3.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 7std_ligand_1_3.mol2 | 7std | 0.733333 | -7.01 | [C@@H]1([C@H](C1(Cl)Cl)C)CC | 8 |
Structure and binding mode of 7std_ligand_1_3.mol2(FDBF00749)
Important binding residues for 7std_ligand_1_3.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 7std | PHE53 | -0.80 | 0.28 | -0.52 | 0.07 | -0.45 |
| 7std | LEU106 | -0.78 | -0.89 | -1.67 | 1.16 | -0.51 |
| 7std | VAL108 | -0.66 | -0.08 | -0.74 | 0.12 | -0.62 |
| 7std | ALA127 | -0.41 | 0.10 | -0.31 | -0.08 | -0.38 |
| 7std | SER129 | -0.44 | 0.22 | -0.22 | -0.28 | -0.51 |
| 7std | PRO149 | -0.85 | -0.17 | -1.02 | 0.26 | -0.77 |
| 7std | ILE151 | -0.27 | 0.02 | -0.25 | -0.08 | -0.33 |
