Binding information for 6std_ligand_frag_3.mol2(FDBF07470)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 6std_ligand_frag_3.mol2 | 6std | 0.7 | -6.55 | C1[C@H](C1(Cl)Cl)C | 6 |
Structure and binding mode of 6std_ligand_frag_3.mol2(FDBF07470)
Important binding residues for 6std_ligand_frag_3.mol2(FDBF07470)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 6std | LEU106 | -0.71 | -0.75 | -1.46 | 1.01 | -0.46 |
| 6std | VAL108 | -0.74 | -0.05 | -0.79 | 0.12 | -0.67 |
| 6std | ALA127 | -0.38 | 0.06 | -0.32 | -0.04 | -0.36 |
| 6std | SER129 | -0.42 | 0.16 | -0.26 | -0.17 | -0.43 |
| 6std | ASN131 | -0.69 | -0.02 | -0.71 | 0.31 | -0.40 |
| 6std | PRO149 | -0.58 | -0.24 | -0.82 | 0.23 | -0.58 |
| 6std | ILE151 | -0.65 | 0.00 | -0.65 | -0.06 | -0.71 |
