Binding information for 4lar_ligand_frag_2.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lar_ligand_frag_2.mol2 | 4lar | 1 | -6.85 | c1ccccc1 | 6 |
Structure and binding mode of 4lar_ligand_frag_2.mol2(FDBF00005)
Important binding residues for 4lar_ligand_frag_2.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lar | TYR33 | -1.34 | -0.02 | -1.36 | 0.50 | -0.87 |
| 4lar | TYR50 | -0.77 | -0.20 | -0.97 | 0.45 | -0.51 |
| 4lar | PHE95 | -1.18 | -0.06 | -1.24 | 0.37 | -0.87 |
| 4lar | PHE96 | -0.98 | -0.54 | -1.52 | 0.73 | -0.79 |
