Binding information for 6std_ligand_frag_0.mol2(FDBF00879)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 6std_ligand_frag_0.mol2 | 6std | 1 | -6.96 | c1(Br)ccccc1 | 7 |
Structure and binding mode of 6std_ligand_frag_0.mol2(FDBF00879)
Important binding residues for 6std_ligand_frag_0.mol2(FDBF00879)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 6std | PHE53 | -0.79 | -0.10 | -0.89 | 0.22 | -0.67 |
| 6std | LEU54 | -0.48 | 0.51 | 0.03 | -0.41 | -0.39 |
| 6std | MET69 | -0.81 | 0.27 | -0.54 | 0.14 | -0.40 |
| 6std | VAL70 | -0.43 | 0.14 | -0.29 | -0.21 | -0.50 |
| 6std | VAL75 | -1.40 | -0.09 | -1.49 | -0.30 | -1.79 |
| 6std | PHE162 | -1.27 | -0.14 | -1.41 | 0.19 | -1.21 |
| 6std | ARG166 | -0.75 | -0.30 | -1.05 | 0.47 | -0.58 |
| 6std | PHE169 | -0.66 | -0.32 | -0.98 | 0.32 | -0.66 |
