3UWO
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 | Thymidylate kinase | polymer | 220 | 24086.4 | 2 | UniProt (Q9HZN8) Pfam (PF02223) In PDB | Pseudomonas aeruginosa | dTMP kinase |
2 | A, B | 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide | non-polymer | 268.3 | 2 | Chemie (0DJ) | |||
3 | water | water | 18.0 | 199 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 210 (UniProt: Q9HZN8)
PDB | External Database | Details |
---|---|---|
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Gly 211 | - | expression tag |
Ser 212 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 48172.8 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 536.5 | |
All* | Total formula weight | 48709.3 |