Binding information for 1pzo_ligand_2_0.mol2(FDBF03644)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1pzo_ligand_2_0.mol2 | 1pzo | 1 | -6.56 | [NH3+]Cc1ccc(Cl)cc1 | 9 |
Structure and binding mode of 1pzo_ligand_2_0.mol2(FDBF03644)
Important binding residues for 1pzo_ligand_2_0.mol2(FDBF03644)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1pzo | ALA217 | -0.54 | 0.30 | -0.24 | -0.33 | -0.57 |
| 1pzo | SER235 | -1.15 | 0.55 | -0.6 | -0.23 | -0.83 |
| 1pzo | GLY236 | -0.54 | -2.14 | -2.68 | 1.70 | -0.98 |
| 1pzo | ALA237 | -0.19 | -0.11 | -0.3 | -0.02 | -0.32 |
| 1pzo | GLY245 | -0.82 | -1.49 | -2.31 | 1.51 | -0.80 |
| 1pzo | ILE246 | -1.53 | 0.23 | -1.3 | -0.37 | -1.67 |
| 1pzo | ILE263 | -0.66 | -0.64 | -1.3 | 0.61 | -0.69 |
| 1pzo | ASP273 | -0.01 | -28.41 | -28.42 | 28.08 | -0.35 |
| 1pzo | ASN276 | -0.18 | -19.72 | -19.9 | 19.43 | -0.47 |
| 1pzo | ILE279 | -0.96 | 1.10 | 0.14 | -1.09 | -0.95 |
