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Literature summary for 2.7.4.9 extracted from

  • Carnrot, C.; Wang, L.; Topalis, D.; Eriksson, S.
    Mechanisms of substrate selectivity for Bacillus anthracis thymidylate kinase (2008), Protein Sci., 17, 1486-1493.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

Crystallization (Comment) Organism
structural model based on staphylococcus aureus structure Bacillus anthracis

Inhibitors

Inhibitors Comment Organism Structure
2',3'-dideoxy-2',3'-didehydrothymidine poor inhibitor Bacillus anthracis
3'-azidothymidine poor inhibitor Bacillus anthracis
5-fluorodeoxyuridine poor inhibitor Bacillus anthracis
D-2'-fluoroarabinosyl-5-methyldeoxyuridine poor inhibitor; strong Bacillus anthracis
deoxythymidine poor inhibitor Bacillus anthracis

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.0044
-
D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate pH 7.6, 37°C Bacillus anthracis
0.033
-
dTMP
-
Bacillus anthracis
0.167
-
L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate pH 7.6, 37°C Bacillus anthracis

Organism

Organism UniProt Comment Textmining
Bacillus anthracis Q81W11
-
-

Reaction

Reaction Comment Organism Reaction ID
ATP + dTMP = ADP + dTDP binding of D-dTMP is through a network of hydrogen bonds to the pyrimidine ring involving residues R70, S97, and Q101, and the base is stacked by residue Y66. The phosphate group is tightly coordinated by residues R34, D91, and R92 Bacillus anthracis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + 2',3'-dideoxy-2',3'-didehydrothymidine 5'-monophosphate
-
Bacillus anthracis ADP + 2',3'-dideoxy-2',3'-didehydrothymidine 5'-diphosphate
-
?
ATP + 5-fluorodeoxyuridine 5'-monophosphate poor substrate Bacillus anthracis ADP + 5-fluorodeoxyuridine 5'-diphosphate
-
?
ATP + AMP 3.7% of the activity with dTMP Bacillus anthracis ADP + ADP
-
?
ATP + D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate 172% of the activity with dTMP Bacillus anthracis ADP + D-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-diphosphate
-
?
ATP + dAMP 2.7% of the activity with dTMP Bacillus anthracis ADP + dADP
-
?
ATP + dCMP 1% of the activity with dTMP Bacillus anthracis ADP + dCDP
-
?
ATP + dTMP
-
Bacillus anthracis ADP + dTDP
-
?
ATP + dUMP 10.7% of the activity with dTMP Bacillus anthracis ADP + dUDP
-
?
ATP + IMP 1% of the activity with dTMP Bacillus anthracis ADP + IDP
-
?
ATP + L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-monophosphate poor substrate Bacillus anthracis ADP + L-2'-fluoroarabinosyl-5-methyldeoxyuridine 5'-diphosphate
-
?
dATP + dTMP dATP, 83% of the activity with ATP Bacillus anthracis dADP + dTDP
-
?
additional information no substrate: 3'-azidothymidine 5'-monophosphate Bacillus anthracis ?
-
?

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.01
-
pH 7.6, 37°C Bacillus anthracis D-2'-fluoroarabinosyl-5-methyldeoxyuridine