8P7N
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Replaces: 6FU0Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Parathion hydrolase | polymer | 329 | 35491.3 | 4 | UniProt (P0A434) Pfam (PF02126) | Brevundimonas diminuta | Phosphotriesterase,PTE |
| 2 | E, H, K, N (A, B, C, D) | FORMIC ACID | non-polymer | 46.0 | 4 | Chemie (FMT) | |||
| 3 | F, G, I, J, L... (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | Q, R (B, C) | water | water | 18.0 | 4 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 34 - 362 (UniProt: P0A434)
| PDB | External Database | Details |
|---|---|---|
| Ala 77 | Lys 77 | conflict |
| Val 80 | Ala 80 | conflict |
| Glu 132 | Phe 132 | conflict |
| Asn 173 | Thr 173 | conflict |
| Arg 185 | Lys 185 | conflict |
| Gly 254 | His 254 | conflict |
| Asn 274 | Ile 274 | conflict |
| Ser 319 | Arg 319 | conflict |
| Ser 342 | Pro 342 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 141965.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 707.4 | |
| All* | Total formula weight | 142672.4 |
