8P7V
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Replaces: 6G3LEntity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Parathion hydrolase | polymer | 331 | 35747.6 | 1 | UniProt (P0A434) Pfam (PF02126) In PDB | Brevundimonas diminuta | Phosphotriesterase,PTE |
2 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
3 | A | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
4 | A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
5 | A | 1-ethyl-1-methyl-cyclohexane | non-polymer | 126.2 | 1 | Chemie (E8N) | |||
6 | A | METHYLPHOSPHONIC ACID ESTER GROUP | non-polymer | 96.0 | 1 | Chemie (GB) | |||
7 | A | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
8 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
9 | water | water | 18.0 | 296 | Chemie (HOH) |
Sequence modifications
A: 34 - 364 (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 |
Leu 203 | Ala 203 | conflict |
Gly 254 | His 254 | conflict |
Asn 274 | Ile 274 | conflict |
Ser 319 | Arg 319 | conflict |
Ser 342 | Pro 342 | conflict |
Asn 343 | Gln 343 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 35747.6 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 837.5 | |
All* | Total formula weight | 36585.1 |