Binding information for 7std_ligand_frag_3.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 7std_ligand_frag_3.mol2 | 7std | 0.533333 | -6.53 | C1[C@H](C1(Cl)Cl)C | 6 |
Structure and binding mode of 7std_ligand_frag_3.mol2(FDBF00749)
Important binding residues for 7std_ligand_frag_3.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 7std | LEU106 | -0.76 | -0.79 | -1.55 | 1.05 | -0.50 |
| 7std | VAL108 | -0.72 | -0.07 | -0.79 | 0.11 | -0.68 |
| 7std | ALA127 | -0.36 | 0.09 | -0.27 | -0.07 | -0.34 |
| 7std | SER129 | -0.41 | 0.20 | -0.21 | -0.26 | -0.46 |
| 7std | PRO149 | -0.53 | -0.20 | -0.73 | 0.22 | -0.50 |
| 7std | ILE151 | -0.60 | 0.02 | -0.58 | -0.09 | -0.67 |
