8P7H
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Replaces: 6FEFEntity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Parathion hydrolase | polymer | 329 | 35549.3 | 1 | UniProt (P0A434) Pfam (PF02126) | Brevundimonas diminuta | Phosphotriesterase,PTE |
| 2 | B (A) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F, G (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | H (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | I (A) | 2-methylidene-1,3-dioxane-4,4-diol | non-polymer | 132.1 | 1 | Chemie (X3B) | |||
| 7 | J (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 8 | K (A) | water | water | 18.0 | 399 | Chemie (HOH) |
Sequence modifications
A: 34 - 362 (UniProt: P0A434)
| PDB | External Database | Details |
|---|---|---|
| Ala 77 | Lys 77 | conflict |
| Val 80 | Ala 80 | conflict |
| Ala 106 | Ile 106 | conflict |
| Glu 132 | Phe 132 | conflict |
| Gln 173 | Thr 173 | conflict |
| Arg 185 | Lys 185 | conflict |
| Phe 203 | Ala 203 | conflict |
| Gly 254 | His 254 | conflict |
| Asn 274 | Ile 274 | conflict |
| Ser 319 | Arg 319 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35549.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 743.4 | |
| All* | Total formula weight | 36292.7 |
