Binding information for 2std_ligand_1_3.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2std_ligand_1_3.mol2 | 2std | 0.733333 | -6.96 | C(C)[C@H]1[C@H](C1(Cl)Cl)C | 8 |
Structure and binding mode of 2std_ligand_1_3.mol2(FDBF00749)
Important binding residues for 2std_ligand_1_3.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2std | PHE53 | -0.68 | -0.06 | -0.74 | 0.20 | -0.55 |
| 2std | LEU106 | -0.69 | -0.79 | -1.48 | 1.02 | -0.46 |
| 2std | ALA127 | -0.45 | 0.09 | -0.36 | -0.07 | -0.43 |
| 2std | SER129 | -0.40 | 0.23 | -0.17 | -0.24 | -0.42 |
| 2std | ASN131 | -0.52 | -0.22 | -0.74 | 0.37 | -0.37 |
| 2std | LEU147 | -0.49 | -0.78 | -1.27 | 0.91 | -0.35 |
| 2std | PRO149 | -0.78 | -0.23 | -1.01 | 0.26 | -0.74 |
| 2std | ILE151 | -0.72 | 0.04 | -0.68 | -0.09 | -0.77 |
| 2std | TRP153 | -0.61 | -0.33 | -0.94 | 0.62 | -0.32 |
