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Literature summary extracted from

  • Balzarini, J.; Van Daele, I.; Negri, A.; Solaroli, N.; Karlsson, A.; Liekens, S.; Gago, F.; Van Calenbergh, S.
    Human mitochondrial thymidine kinase is selectively inhibited by 3-thiourea derivatives of beta-thymidine: identification of residues crucial for both inhibition and catalytic activity (2009), Mol. Pharmacol., 75, 1127-1136.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
2.7.1.21 expressed in Escherichia coli Rosetta(DE3) cells as a fusion protein to glutathione transferase Homo sapiens

Protein Variants

EC Number Protein Variants Comment Organism
2.7.1.21 H13I the mutant shows strongly increased Km compared to the wild type enzyme Human alphaherpesvirus 1
2.7.1.21 H13I/Y127F the mutant shows increased Km compared to the wild type enzyme Human alphaherpesvirus 1
2.7.1.21 I59H the mutant shows imcreased Km compared to the wild type enzyme Homo sapiens
2.7.1.21 I59L the mutant shows imcreased Km compared to the wild type enzyme Homo sapiens
2.7.1.21 I59V the mutant shows imcreased Km compared to the wild type enzyme Homo sapiens
2.7.1.21 I59Y the mutant shows decreased Km compared to the wild type enzyme Homo sapiens
2.7.1.21 P12N the mutant shows increased Km compared to the wild type enzyme Human alphaherpesvirus 1
2.7.1.21 P12N/H13I the mutant shows decreased Km compared to the wild type enzyme Human alphaherpesvirus 1
2.7.1.21 P12N/H13I/Y127F the mutant shows strongly increased Km compared to the wild type enzyme Human alphaherpesvirus 1
2.7.1.21 P12N/Y127F the mutant shows strongly increased Km compared to the wild type enzyme Human alphaherpesvirus 1

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.21 1-(3,4-dichlorobenzyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Homo sapiens
2.7.1.21 1-(3,4-dichlorobenzyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Human alphaherpesvirus 1
2.7.1.21 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Homo sapiens
2.7.1.21 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Human alphaherpesvirus 1
2.7.1.21 1-benzyl-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Homo sapiens
2.7.1.21 1-benzyl-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Human alphaherpesvirus 1
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]thiourea
-
 Homo sapiens
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]thiourea
-
 Human alphaherpesvirus 1
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]urea
-
 Homo sapiens
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]urea
-
 Human alphaherpesvirus 1
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Homo sapiens
2.7.1.21 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
-
 Human alphaherpesvirus 1
2.7.1.21 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-phenylthiourea
-
 Homo sapiens
2.7.1.21 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-phenylthiourea
-
 Human alphaherpesvirus 1
2.7.1.21 3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
-
 Homo sapiens
2.7.1.21 3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
-
 Human alphaherpesvirus 1
2.7.1.21 3'-deoxy-3'-([[(3,4-dichlorophenyl)carbamothioyl]amino]methyl)thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-([[(3,4-dichlorophenyl)carbamothioyl]amino]methyl)thymidine
-
 Human alphaherpesvirus 1
2.7.1.21 3'-deoxy-3'-([[(4-methoxyphenyl)carbamothioyl]amino]methyl)thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-([[(4-methoxyphenyl)carbamothioyl]amino]methyl)thymidine
-
 Human alphaherpesvirus 1
2.7.1.21 3'-deoxy-3'-([[(4-methylphenyl)carbamothioyl]amino]methyl)thymidine
-
 Homo sapiens
2.7.1.21 3'-deoxy-3'-([[(4-methylphenyl)carbamothioyl]amino]methyl)thymidine
-
 Human alphaherpesvirus 1
2.7.1.21 3'-[([[4-(benzyloxy)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
 Homo sapiens
2.7.1.21 3'-[([[4-(benzyloxy)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
 Human alphaherpesvirus 1
2.7.1.21 3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
 Homo sapiens
2.7.1.21 3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
-
 Human alphaherpesvirus 1
2.7.1.21 5'-deoxy-5'-[(tricyclo[3.3.1.13,7]dec-1-ylcarbamothioyl)amino]thymidine
-
 Homo sapiens
2.7.1.21 5'-deoxy-5'-[(tricyclo[3.3.1.13,7]dec-1-ylcarbamothioyl)amino]thymidine
-
 Human alphaherpesvirus 1
2.7.1.21 5'-deoxy-5'-[[(diphenylmethyl)carbamothioyl]amino]thymidine
-
 Homo sapiens
2.7.1.21 5'-deoxy-5'-[[(diphenylmethyl)carbamothioyl]amino]thymidine
-
 Human alphaherpesvirus 1

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.7.1.21 0.00023
-
 thymidine mutant enzyme P12N/H13I, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.00044
-
 thymidine wild type enzyme, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.0039
-
 thymidine mutant enzyme P12N, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.0039
-
 thymidine thymidine kinase-2 mutant enzyme I59Y, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens
2.7.1.21 0.0043
-
 thymidine wild type thymidine kinase-2, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens
2.7.1.21 0.0051
-
 thymidine thymidine kinase-2 mutant enzyme I59V, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens
2.7.1.21 0.0056
-
 thymidine thymidine kinase-2 mutant enzyme I59L, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens
2.7.1.21 0.006
-
 thymidine thymidine kinase-2 mutant enzyme I59H, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Homo sapiens
2.7.1.21 0.037
-
 thymidine mutant enzyme H13I/Y127F, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.263
-
 thymidine mutant enzyme P12N/H13I/Y127F, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.59
-
 thymidine mutant enzyme P12N/Y127F, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1
2.7.1.21 0.612
-
 thymidine mutant enzyme H13I, in 50 mM Tris/HCl, pH 8.0, 2.5 mM MgCl2, 10 mM dithiothreitol, 0.5 mM CHAPS, 3 mg/ml bovine serum albumin, at 37°C Human alphaherpesvirus 1

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
2.7.1.21 mitochondrion beta-thymidine kinase-2 Homo sapiens 5739
-

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.21 Homo sapiens
-
-
-
2.7.1.21 Human alphaherpesvirus 1 P03176
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
2.7.1.21 glutathione-Sepharose column chromatography Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.1.21 ATP + thymidine
-
 Homo sapiens ADP + thymidine 5'-phosphate
-
 ?
2.7.1.21 ATP + thymidine
-
 Human alphaherpesvirus 1 ADP + thymidine 5'-phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.1.21 beta-thymidine kinase-1
-
 Homo sapiens
2.7.1.21 beta-thymidine kinase-2
-
 Homo sapiens
2.7.1.21 dThd kinase-1
-
 Homo sapiens
2.7.1.21 dThd kinase-2
-
 Homo sapiens
2.7.1.21 thymidine kinase-1
-
 Homo sapiens
2.7.1.21 thymidine kinase-2
-
 Homo sapiens
2.7.1.21 TK-1
-
 Homo sapiens
2.7.1.21 TK-2
-
 Homo sapiens

Cofactor

EC Number Cofactor Comment Organism Structure
2.7.1.21 ATP
-
 Homo sapiens
2.7.1.21 ATP
-
 Human alphaherpesvirus 1

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.21 0.00015
-
-
 Homo sapiens 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]thiourea
2.7.1.21 0.00042
-
-
 Homo sapiens 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]urea
2.7.1.21 0.00043
-
-
 Homo sapiens 3'-[([[4-(benzyloxy)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
2.7.1.21 0.00047
-
-
 Homo sapiens 3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
2.7.1.21 0.00064
-
-
 Homo sapiens 3'-deoxy-3'-([[(3,4-dichlorophenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.0012
-
-
 Homo sapiens 3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
2.7.1.21 0.0012
-
-
 Homo sapiens 3'-deoxy-3'-([[(4-methylphenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.0031
-
-
 Homo sapiens 3'-deoxy-3'-([[(4-methoxyphenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.031
-
-
 Homo sapiens 5'-deoxy-5'-[(tricyclo[3.3.1.13,7]dec-1-ylcarbamothioyl)amino]thymidine
2.7.1.21 0.038
-
-
 Homo sapiens 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.041
-
-
 Homo sapiens 1-(3,4-dichlorobenzyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.046
-
-
 Human alphaherpesvirus 1 3'-[([[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
2.7.1.21 0.057
-
-
 Homo sapiens 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.087
-
-
 Human alphaherpesvirus 1 3'-deoxy-3'-([[(3,4-dichlorophenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.099
-
-
 Homo sapiens 1-benzyl-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.11
-
-
 Homo sapiens 5'-deoxy-5'-[[(diphenylmethyl)carbamothioyl]amino]thymidine
2.7.1.21 0.195
-
-
 Human alphaherpesvirus 1 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]thiourea
2.7.1.21 0.232
-
-
 Human alphaherpesvirus 1 3'-[([[4-(benzyloxy)phenyl]carbamothioyl]amino)methyl]-3'-deoxythymidine
2.7.1.21 0.335
-
-
 Human alphaherpesvirus 1 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]urea
2.7.1.21 0.365
-
-
 Human alphaherpesvirus 1 1-(3,4-dichlorobenzyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.392
-
-
 Human alphaherpesvirus 1 5'-deoxy-5'-[(tricyclo[3.3.1.13,7]dec-1-ylcarbamothioyl)amino]thymidine
2.7.1.21 0.4
-
-
 Human alphaherpesvirus 1 3'-([[(4-chlorophenyl)carbamothioyl]amino]methyl)-3'-deoxythymidine
2.7.1.21 0.405
-
-
 Homo sapiens 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-phenylthiourea
2.7.1.21 0.422
-
-
 Human alphaherpesvirus 1 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.444
-
-
 Human alphaherpesvirus 1 3'-deoxy-3'-([[(4-methylphenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.472
-
-
 Human alphaherpesvirus 1 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea
2.7.1.21 0.5
-
 IC50 above 0.5 mM Human alphaherpesvirus 1 3'-deoxy-3'-([[(4-methoxyphenyl)carbamothioyl]amino]methyl)thymidine
2.7.1.21 0.5
-
 IC50 above 0.5 mM Human alphaherpesvirus 1 1-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]-3-phenylthiourea
2.7.1.21 0.5
-
 IC50 above 0.5 mM Human alphaherpesvirus 1 5'-deoxy-5'-[[(diphenylmethyl)carbamothioyl]amino]thymidine
2.7.1.21 0.5
-
 IC50 above 0.5 mM Human alphaherpesvirus 1 1-benzyl-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea