Binding information for 2azr_ligand_frag_2.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2azr_ligand_frag_2.mol2 | 2azr | 1 | -5.92 | CC(=O)O | 4 |
Structure and binding mode of 2azr_ligand_frag_2.mol2(FDBF00004)
Important binding residues for 2azr_ligand_frag_2.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2azr | ASP181 | -0.55 | 18.08 | 17.53 | -19.37 | -1.84 |
| 2azr | PHE182 | -1.06 | -6.20 | -7.26 | 4.48 | -2.79 |
| 2azr | CYS215 | -0.35 | -6.17 | -6.52 | 5.20 | -1.32 |
| 2azr | SER216 | -0.12 | -3.12 | -3.24 | 2.88 | -0.36 |
| 2azr | ILE219 | -0.23 | -2.60 | -2.83 | 2.18 | -0.65 |
| 2azr | GLY220 | -0.68 | -7.17 | -7.85 | 5.08 | -2.77 |
| 2azr | ARG221 | -1.48 | -45.36 | -46.84 | 40.73 | -6.12 |
| 2azr | GLN262 | -0.58 | -1.79 | -2.37 | 1.76 | -0.62 |
| 2azr | GLN266 | -0.25 | 10.39 | 10.14 | -13.66 | -3.52 |
