Binding information for 2std_ligand_frag_3.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2std_ligand_frag_3.mol2 | 2std | 0.533333 | -6.48 | C1[C@H](C1(Cl)Cl)C | 6 |
Structure and binding mode of 2std_ligand_frag_3.mol2(FDBF00749)
Important binding residues for 2std_ligand_frag_3.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2std | LEU106 | -0.67 | -0.70 | -1.37 | 0.92 | -0.46 |
| 2std | ALA127 | -0.40 | 0.08 | -0.32 | -0.05 | -0.37 |
| 2std | SER129 | -0.37 | 0.21 | -0.16 | -0.23 | -0.39 |
| 2std | ASN131 | -0.51 | -0.22 | -0.73 | 0.37 | -0.37 |
| 2std | LEU147 | -0.44 | -0.73 | -1.17 | 0.83 | -0.35 |
| 2std | PRO149 | -0.54 | -0.23 | -0.77 | 0.24 | -0.54 |
| 2std | ILE151 | -0.69 | 0.04 | -0.65 | -0.09 | -0.75 |
