Binding information for 1w6j_ligand_frag_0.mol2(FDBF00879)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6j_ligand_frag_0.mol2 | 1w6j | 1 | -7.05 | c1ccc(Br)cc1 | 7 |
Structure and binding mode of 1w6j_ligand_frag_0.mol2(FDBF00879)
Important binding residues for 1w6j_ligand_frag_0.mol2(FDBF00879)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6j | TRP192 | -0.85 | -0.07 | -0.92 | 0.29 | -0.64 |
| 1w6j | TRP230 | -0.87 | -0.38 | -1.25 | 0.79 | -0.46 |
| 1w6j | HIS232 | -1.39 | -1.02 | -2.41 | 1.32 | -1.09 |
| 1w6j | CYS233 | -1.05 | -0.30 | -1.35 | 0.45 | -0.90 |
| 1w6j | VAL236 | -0.63 | 0.02 | -0.61 | -0.13 | -0.75 |
| 1w6j | ILE338 | -0.35 | 0.14 | -0.21 | -0.17 | -0.38 |
| 1w6j | PHE521 | -0.83 | 0.03 | -0.8 | 0.21 | -0.60 |
| 1w6j | ILE524 | -0.56 | 0.04 | -0.52 | -0.08 | -0.61 |
| 1w6j | PHE696 | -0.46 | -0.05 | -0.51 | 0.12 | -0.40 |
