3UXM
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
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 | Thymidylate kinase | polymer | 211 | 23149.3 | 4 | UniProt (Q9HZN8) Pfam (PF02223) In PDB | Pseudomonas aeruginosa | dTMP kinase |
| 2 | A, C | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 3 | A, B, C, D | 5'-deoxy-5'-fluorothymidine | non-polymer | 244.2 | 4 | Chemie (0DN) | |||
| 4 | water | water | 18.0 | 377 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 210 (UniProt: Q9HZN8)
| PDB | External Database | Details |
|---|---|---|
| Gly 211 | - | expression tag |
| Ser 212 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 92597.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1074.1 | |
| All* | Total formula weight | 93671.2 |
