Brand  (β version)

PDB ID: 3UXM

Hetero Atom Contents

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hetatm:

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information
centroid:
interaction residue:

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Ligands
Code Name Link
0DN 5'-deoxy-5'-fluorothymidine PoSSuM
MG Magnesium ion PoSSuM

Structure summary

Code : 3UXM   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Release Data : 2012-02-01
Compound :
mol_id molecule chains synonym
1 Thymidylate kinase A,B,C,D dTMP kinase
ec: 2.7.4.9
fragment: Kinase domain
Source :
mol_id organism_scientific expression_system
1 Pseudomonas aeruginosa  (taxid:208964) Escherichia coli  (taxid:469008)
strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228
gene: PA2962, tmk
expression_system_strain: BL21 DE3
expression_system_vector_type: plasmid
expression_system_plasmid: pET15b
Authors : Choi, J.Y., Plummer, M.S., Starr, J., Desbonnet, C.R., Soutter, H.H., Chang, J., Miller, J.R., Dillman, K., Miller, A.A., Roush, W.R.
Keywords : Thymidylate kinase, thymidine triphosphate, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.95 Å )
Citation :

Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.

Choi, J.Y.,Plummer, M.S.,Starr, J.  et al.
(2012)  J.Med.Chem.  55 : 852 - 870

PubMed: 22243413
DOI: 10.1021/jm201349f

Reaction

Chain : A, B, C, D
UniProt : Q9HZN8 (KTHY_PSEAE)
Reaction : Reaction=ATP + dTMP = ADP + dTDP; Xref=Rhea:RHEA:13517, ChEBI:CHEBI:30616, ChEBI:CHEBI:58369, ChEBI:CHEBI:63528, ChEBI:CHEBI:456216; EC=2.7.4.9;