8K9U
Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Lysine--tRNA ligase | polymer | 516 | 59781.1 | 2 | UniProt (A0A024X378) Pfam (PF01336) Pfam (PF00152) | Plasmodium falciparum (isolate Camp / Malaysia) | Lysyl-tRNA synthetase |
| 2 | C, F (A, B) | LYSINE | non-polymer | 147.2 | 2 | Chemie (LYS) | |||
| 3 | D, G (A, B) | ~{N}4-(2,4-dimethoxyphenyl)-~{N}2-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | non-polymer | 429.5 | 2 | Chemie (JSL) | |||
| 4 | E (B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 96 | Chemie (HOH) |
Sequence modifications
A, B: 77 - 583 (UniProt: A0A024X378)
| PDB | External Database | Details |
|---|---|---|
| Met 76 | - | initiating methionine |
| Gly 584 | - | expression tag |
| Gly 585 | - | expression tag |
| His 586 | - | expression tag |
| His 587 | - | expression tag |
| His 588 | - | expression tag |
| His 589 | - | expression tag |
| His 590 | - | expression tag |
| His 591 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 119562.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1348.6 | |
| All* | Total formula weight | 120910.9 |
