5XII
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 6
Entity
| 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 | Prolyl-tRNA synthetase (ProRS) | polymer | 500 | 57937.3 | 4 | UniProt (S8G8I1) Pfam (PF00587) Pfam (PF03129) Pfam (PF09180) In PDB | Toxoplasma gondii (strain ATCC 50611 / Me49) | |
| 2 | D, A, B, C | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 4 | Chemie (ANP) | |||
| 3 | D, A, B, C | MAGNESIUM ION | non-polymer | 24.3 | 8 | Chemie (MG) | |||
| 4 | C, D, A, B | 6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one | non-polymer | 337.8 | 4 | Chemie (86X) | |||
| 5 | D, A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 11 | Chemie (EDO) | |||
| 6 | C, D, B | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) | |||
| 7 | water | water | 18.0 | 716 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 334 - 830 (UniProt: S8G8I1)
| PDB | External Database | Details |
|---|---|---|
| Gly 331 | - | expression tag |
| Ala 332 | - | expression tag |
| Met 333 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 231749.0 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 4501.2 | |
| All* | Total formula weight | 236250.3 |
