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Literature summary for 4.6.1.1 extracted from

  • Goettle, M.; Dove, S.; Steindel, P.; Shen, Y.; Tang, W.J.; Geduhn, J.; Koenig, B.; Seifert, R.
    Molecular analysis of the interaction of Bordetella pertussis adenylyl cyclase with fluorescent nucleotides (2007), Mol. Pharmacol., 72, 526-535.
    View publication on PubMed

Activating Compound

Activating Compound Comment Organism Structure
Calmodulin
-
Bordetella pertussis

Application

Application Comment Organism
drug development CyaA substantially contributes to the pathogenesis of whooping cough, catalytic site of CyaA possesses substantial conformational freedom to accommodate structurally diverse ligands, certain ligands bind to CyaA even in the absence of calmodulin, facilitating future inhibitor design Bordetella pertussis

Inhibitors

Inhibitors Comment Organism Structure
2'-methylanthraniloyl-3'-d-ATP
-
Bordetella pertussis
2,4,6-trinitrophenyl-ATP
-
Bordetella pertussis
2,4,6-trinitrophenyl-CTP
-
Bordetella pertussis
2,4,6-trinitrophenyl-GTP
-
Bordetella pertussis
2,4,6-trinitrophenyl-UTP
-
Bordetella pertussis
3'-methylanthraniloyl-2'-d-ATP
-
Bordetella pertussis
9-[2-(phosphonomethoxy)ethyl]adenine diphosphate
-
Bordetella pertussis
ANT-ADP
-
Bordetella pertussis
ANT-ATP
-
Bordetella pertussis
ANT-GTP
-
Bordetella pertussis
anthraniloyl-ADP
-
Bordetella pertussis
anthraniloyl-ATP
-
Bordetella pertussis
anthraniloyl-GTP
-
Bordetella pertussis
CTP
-
Bordetella pertussis
di-methylanthraniloyl-IMP
-
Bordetella pertussis
GTP
-
Bordetella pertussis
ITP
-
Bordetella pertussis
ITPgammaS
-
Bordetella pertussis
methylanthraniloyl-ADP
-
Bordetella pertussis
methylanthraniloyl-ATP
-
Bordetella pertussis
methylanthraniloyl-ATPgammaS
-
Bordetella pertussis
methylanthraniloyl-CDP
-
Bordetella pertussis
methylanthraniloyl-CTP
-
Bordetella pertussis
methylanthraniloyl-GDP
-
Bordetella pertussis
methylanthraniloyl-GTP
-
Bordetella pertussis
methylanthraniloyl-GTPgammaS
-
Bordetella pertussis
methylanthraniloyl-IDP
-
Bordetella pertussis
methylanthraniloyl-IMP
-
Bordetella pertussis
methylanthraniloyl-ITP
-
Bordetella pertussis
methylanthraniloyl-ITPgammaS
-
Bordetella pertussis
methylanthraniloyl-UDP
-
Bordetella pertussis
methylanthraniloyl-UTP
-
Bordetella pertussis
UTP
-
Bordetella pertussis
UTPgammaS
-
Bordetella pertussis

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
0.045
-
ATP in the presence of Mn2+ Bordetella pertussis
0.609
-
ATP in the presence of Mg2+ Bordetella pertussis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+
-
Bordetella pertussis
Mn2+
-
Bordetella pertussis

Organism

Organism UniProt Comment Textmining
Bordetella pertussis
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP
-
Bordetella pertussis 3',5'-cAMP + diphosphate
-
?

Synonyms

Synonyms Comment Organism
CyaA
-
Bordetella pertussis

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000001
-
9-[2-(phosphonomethoxy)ethyl]adenine diphosphate in the presence of Mn2+ Bordetella pertussis
0.000025
-
9-[2-(phosphonomethoxy)ethyl]adenine diphosphate in the presence of Mg2+ Bordetella pertussis
0.0002
-
3'-methylanthraniloyl-2'-d-ATP in the presence of Mn2+ Bordetella pertussis
0.0003
-
2'-methylanthraniloyl-3'-d-ATP in the presence of Mn2+ Bordetella pertussis
0.0006
-
methylanthraniloyl-ITP in the presence of Mn2+ Bordetella pertussis
0.0011
-
methylanthraniloyl-CTP in the presence of Mn2+ Bordetella pertussis
0.0012
-
methylanthraniloyl-ATPgammaS in the presence of Mn2+ Bordetella pertussis
0.0013
-
anthraniloyl-ATP in the presence of Mn2+ Bordetella pertussis
0.0018
-
methylanthraniloyl-ITPgammaS in the presence of Mn2+ Bordetella pertussis
0.0026
-
methylanthraniloyl-UTP in the presence of Mn2+ Bordetella pertussis
0.0043
-
methylanthraniloyl-ATP in the presence of Mn2+ Bordetella pertussis
0.0054
-
methylanthraniloyl-GTPgammaS in the presence of Mn2+ Bordetella pertussis
0.0059
-
methylanthraniloyl-GTP in the presence of Mn2+ Bordetella pertussis
0.0065
-
2,4,6-trinitrophenyl-ATP in the presence of Mn2+ Bordetella pertussis
0.0074
-
methylanthraniloyl-GTPgammaS in the presence of Mg2+ Bordetella pertussis
0.01
-
2,4,6-trinitrophenyl-CTP in the presence of Mn2+ Bordetella pertussis
0.011
-
methylanthraniloyl-IDP in the presence of Mn2+ Bordetella pertussis
0.011
-
anthraniloyl-ADP in the presence of Mn2+ Bordetella pertussis
0.012
-
methylanthraniloyl-ADP in the presence of Mn2+ Bordetella pertussis
0.015
-
methylanthraniloyl-ATPgammaS in the presence of Mg2+ Bordetella pertussis
0.016
-
methylanthraniloyl-ITP in the presence of Mg2+ Bordetella pertussis
0.016
-
methylanthraniloyl-GTP in the presence of Mg2+ Bordetella pertussis
0.018
-
methylanthraniloyl-CDP in the presence of Mn2+ Bordetella pertussis
0.02
-
anthraniloyl-ATP in the presence of Mg2+ Bordetella pertussis
0.02
-
2,4,6-trinitrophenyl-GTP in the presence of Mn2+ Bordetella pertussis
0.02
-
di-methylanthraniloyl-IMP in the presence of Mn2+ Bordetella pertussis
0.022
-
2'-methylanthraniloyl-3'-d-ATP in the presence of Mg2+ Bordetella pertussis
0.027
-
GTP in the presence of Mn2+ Bordetella pertussis
0.029
-
anthraniloyl-GTP in the presence of Mn2+ Bordetella pertussis
0.031
-
methylanthraniloyl-ITPgammaS in the presence of Mg2+ Bordetella pertussis
0.032
-
3'-methylanthraniloyl-2'-d-ATP in the presence of Mg2+ Bordetella pertussis
0.035
-
CTP in the presence of Mn2+ Bordetella pertussis
0.036
-
methylanthraniloyl-CTP in the presence of Mg2+ Bordetella pertussis
0.036
-
UTPgammaS in the presence of Mn2+ Bordetella pertussis
0.037
-
di-methylanthraniloyl-IMP in the presence of Mg2+ Bordetella pertussis
0.042
-
methylanthraniloyl-UTP in the presence of Mg2+ Bordetella pertussis
0.043
-
methylanthraniloyl-UDP in the presence of Mn2+ Bordetella pertussis
0.051
-
methylanthraniloyl-ATP in the presence of Mg2+ Bordetella pertussis
0.058
-
2,4,6-trinitrophenyl-UTP in the presence of Mn2+ Bordetella pertussis
0.06
-
methylanthraniloyl-GDP in the presence of Mn2+ Bordetella pertussis
0.077
-
ITPgammaS in the presence of Mn2+ Bordetella pertussis
0.091
-
methylanthraniloyl-ADP in the presence of Mg2+ Bordetella pertussis
0.1
-
methylanthraniloyl-IDP in the presence of Mg2+ Bordetella pertussis
0.1
-
methylanthraniloyl-IMP in the presence of Mg2+ Bordetella pertussis
0.1
-
methylanthraniloyl-CDP in the presence of Mg2+ Bordetella pertussis
0.1
-
methylanthraniloyl-UDP in the presence of Mg2+ Bordetella pertussis
0.1
-
anthraniloyl-GTP in the presence of Mg2+ Bordetella pertussis
0.1
-
anthraniloyl-ADP in the presence of Mg2+ Bordetella pertussis
0.1
-
ITP in the presence of Mn2+ Bordetella pertussis
0.1
-
methylanthraniloyl-IMP in the presence of Mn2+ Bordetella pertussis
0.11
-
2,4,6-trinitrophenyl-ATP in the presence of Mg2+ Bordetella pertussis
0.12
-
UTP in the presence of Mn2+ Bordetella pertussis
0.26
-
GTP in the presence of Mg2+ Bordetella pertussis
0.27
-
CTP in the presence of Mg2+ Bordetella pertussis
0.32
-
2,4,6-trinitrophenyl-GTP in the presence of Mg2+ Bordetella pertussis
0.33
-
UTP in the presence of Mg2+ Bordetella pertussis
0.41
-
2,4,6-trinitrophenyl-CTP in the presence of Mg2+ Bordetella pertussis
0.78
-
2,4,6-trinitrophenyl-UTP in the presence of Mg2+ Bordetella pertussis
1.1
-
ITP in the presence of Mg2+ Bordetella pertussis