Binding information for 2xzg_ligand_1_0.mol2(FDBF00641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xzg_ligand_1_0.mol2 | 2xzg | 1 | -6.62 | Cc1ccc(cc1)N | 8 |
Structure and binding mode of 2xzg_ligand_1_0.mol2(FDBF00641)
Important binding residues for 2xzg_ligand_1_0.mol2(FDBF00641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xzg | ILE52 | -0.65 | -0.35 | -1 | 0.47 | -0.53 |
| 2xzg | ARG64 | -1.77 | -2.30 | -4.07 | 1.96 | -2.12 |
| 2xzg | ILE66 | -0.40 | -0.02 | -0.42 | -0.00 | -0.42 |
| 2xzg | ILE80 | -0.65 | 0.01 | -0.64 | 0.01 | -0.62 |
| 2xzg | PHE91 | -0.70 | 0.10 | -0.6 | -0.03 | -0.62 |
| 2xzg | ILE93 | -1.28 | -0.51 | -1.79 | 0.42 | -1.37 |
