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Literature summary for 2.7.1.20 extracted from

  • Savi, L.; Brindisi, M.; Alfano, G.; Butini, S.; La Pietra, V.; Novellino, E.; Marinelli, L.; Lossani, A.; Focher, F.; Cavella, C.; Campiani, G.; Gemma, S.
    Site-directed mutagenesis of key residues unveiled a novel allosteric site on human adenosine kinase for pyrrolobenzoxa(thia)zepinone non-nucleoside inhibitors (2016), Chem. Biol. Drug Des., 87, 112-120.
    View publication on PubMed
Search for more literature for 2.7.1.20

Cloned(Commentary)

Cloned (Comment) Organism
expression in Escherichia coli Homo sapiens

Protein Variants

Protein Variants Comment Organism
F338A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens
H107A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens
K341A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens
Q74A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens
Q74A/F338A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens
Q78A mutant displays reduced susceptibility to non-nucleoside inhibitors, while maintaining comparable affinity for nucleoside inhibitors to the wild-type enzyme Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine binds to a putative allosteric site Homo sapiens
6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine binds to a putative allosteric site Homo sapiens
6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine binds to a putative allosteric site Homo sapiens

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.00017
-
 adenosine mutant K341A, pH 7.5, 37°C Homo sapiens
0.00036
-
 adenosine mutant Q74A/F338A, pH 7.5, 37°C Homo sapiens
0.00039
-
 adenosine mutant Q78A, pH 7.5, 37°C Homo sapiens
0.0004
-
 adenosine wild-type, pH 7.5, 37°C Homo sapiens
0.00048
-
 adenosine mutant Q74A, pH 7.5, 37°C Homo sapiens
0.00083
-
 adenosine mutant F338A, pH 7.5, 37°C Homo sapiens
0.00166
-
 adenosine mutant H107A, pH 7.5, 37°C Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P55263
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + adenosine
-
 Homo sapiens ADP + AMP
-
 ?

Synonyms

Synonyms Comment Organism
ADK
-
 Homo sapiens

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
0.02
-
 adenosine mutant Q74A/F338A, pH 7.5, 37°C Homo sapiens
0.05
-
 adenosine mutant Q74A, pH 7.5, 37°C Homo sapiens
0.05
-
 adenosine mutant Q78A, pH 7.5, 37°C Homo sapiens
0.08
-
 adenosine mutant F338A, pH 7.5, 37°C Homo sapiens
0.22
-
 adenosine mutant K341A, pH 7.5, 37°C Homo sapiens
0.35
-
 adenosine mutant H107A, pH 7.5, 37°C Homo sapiens
0.5
-
 adenosine wild-type, pH 7.5, 37°C Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0008
-
 mutant Q78A, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.001
-
 wild-type, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0012
-
 wild-type, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0012
-
 wild-type, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.002
-
 mutant Q78A, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0023
-
 mutant Q78A, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0026
-
 mutant H107A, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.003
-
 mutant H107A, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0033
-
 mutant H107A, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0035
-
 mutant K341A, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0036
-
 mutant Q74A, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0037
-
 mutant K341A, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0064
-
 mutant Q74A, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0118
-
 mutant F338A, pH 7.5, 37°C Homo sapiens 6-ethyl-6-[4-[(phenylsulfanyl)methyl]phenyl]-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0133
-
 mutant F338A, pH 7.5, 37°C Homo sapiens 6-(4-[[(2-chlorophenyl)sulfanyl]methyl]phenyl)-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0198
-
 mutant K341A, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.0203
-
 mutant Q74A, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine
0.061
-
 mutant F338A, pH 7.5, 37°C Homo sapiens 6-[4-[(2-chloro-4-iodophenoxy)methyl]phenyl]-6-ethyl-6,7-dihydropyrrolo[2,1-d][1,5]benzoxazepine

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
50
-
 adenosine mutant Q74A/F338A, pH 7.5, 37°C Homo sapiens
100
-
 adenosine mutant F338A, pH 7.5, 37°C Homo sapiens
100
-
 adenosine mutant Q74A, pH 7.5, 37°C Homo sapiens
130
-
 adenosine mutant Q78A, pH 7.5, 37°C Homo sapiens
270
-
 adenosine mutant H107A, pH 7.5, 37°C Homo sapiens
1250
-
 adenosine wild-type, pH 7.5, 37°C Homo sapiens
1290
-
 adenosine mutant K341A, pH 7.5, 37°C Homo sapiens