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3UXM

Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D
(A, B, C, D)
Thymidylate kinasepolymer21123149.34UniProt (Q9HZN8)
Pfam (PF02223)
Pseudomonas aeruginosadTMP kinase
2E, F, I, J
(A, C)
MAGNESIUM IONnon-polymer24.34Chemie (MG)
3G, H, K, L
(A, B, C, D)
5'-deoxy-5'-fluorothymidinenon-polymer244.24Chemie (0DN)
4M, N, O, P
(A, B, C, D)
waterwater18.0377Chemie (HOH)
Sequence modifications
A, B, C, D: 2 - 210 (UniProt: Q9HZN8)
PDBExternal DatabaseDetails
Gly 211-expression tag
Ser 212-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight92597.1
Non-Polymers*Number of molecules8
Total formula weight1074.1
All*Total formula weight93671.2
*Water molecules are not included.

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PDB entries from 2025-07-16

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