BRENDA - Enzyme Database show

Docking simulation with a purine nucleoside specific homology model of deoxycytidine kinase, a target enzyme for anticancer and antiviral therapy

Johnsamuel, J.; Eriksson, S.; Oliveira, M.; Tjarks, W.; Bioorg. Med. Chem. 13, 4160-4167 (2005)

Data extracted from this reference:

Crystallization (Commentary)
EC Number
Crystallization
Organism
2.7.1.74
crystal structure model construction, using the crystal structure of deoxyguanosine kinase, EC 2.7.1.113, as a template, for docking simulations of enzyme with purine nucleosides and analogues, overview
Homo sapiens
Metals/Ions
EC Number
Metals/Ions
Commentary
Organism
Structure
2.7.1.74
Mg2+
-
Homo sapiens
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.7.1.74
ATP + 2'-deoxycytidine
Homo sapiens
-
ADP + 2'-deoxycytidine 5'-phosphate
-
-
?
2.7.1.74
additional information
Homo sapiens
5'-phosphorylation of is a crucial step in metabolic activation of anticancer and antiviral nucleoside antimetabolites, such as cladribine, gemcitabine, cytarabine, and lamivudine
?
-
-
-
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
2.7.1.74
Homo sapiens
-
-
-
Reaction
EC Number
Reaction
Commentary
Organism
2.7.1.74
NTP + deoxycytidine = NDP + dCMP
active site structure, substrate binding structure simulation and analysis
Homo sapiens
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.7.1.74
ATP + 2',2'-difluorodeoxycytidine
i.e. gemcitabine
661330
Homo sapiens
ADP + 2',2'-difluorodeoxycytidine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + 2'-deoxycytidine
-
661330
Homo sapiens
ADP + 2'-deoxycytidine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + 2-chloro-2'-deoxyadenosine
i.e. cladribine
661330
Homo sapiens
ADP + 2-chloro-2'-deoxyadenosine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + cytarabine
-
661330
Homo sapiens
ADP + cytarabine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + lamivudine
-
661330
Homo sapiens
ADP + lamivudine 5'-phosphate
-
-
-
?
2.7.1.74
additional information
5'-phosphorylation of is a crucial step in metabolic activation of anticancer and antiviral nucleoside antimetabolites, such as cladribine, gemcitabine, cytarabine, and lamivudine
661330
Homo sapiens
?
-
-
-
-
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
2.7.1.74
ATP
-
Homo sapiens
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
2.7.1.74
ATP
-
Homo sapiens
Crystallization (Commentary) (protein specific)
EC Number
Crystallization
Organism
2.7.1.74
crystal structure model construction, using the crystal structure of deoxyguanosine kinase, EC 2.7.1.113, as a template, for docking simulations of enzyme with purine nucleosides and analogues, overview
Homo sapiens
Metals/Ions (protein specific)
EC Number
Metals/Ions
Commentary
Organism
Structure
2.7.1.74
Mg2+
-
Homo sapiens
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
2.7.1.74
ATP + 2'-deoxycytidine
Homo sapiens
-
ADP + 2'-deoxycytidine 5'-phosphate
-
-
?
2.7.1.74
additional information
Homo sapiens
5'-phosphorylation of is a crucial step in metabolic activation of anticancer and antiviral nucleoside antimetabolites, such as cladribine, gemcitabine, cytarabine, and lamivudine
?
-
-
-
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
2.7.1.74
ATP + 2',2'-difluorodeoxycytidine
i.e. gemcitabine
661330
Homo sapiens
ADP + 2',2'-difluorodeoxycytidine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + 2'-deoxycytidine
-
661330
Homo sapiens
ADP + 2'-deoxycytidine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + 2-chloro-2'-deoxyadenosine
i.e. cladribine
661330
Homo sapiens
ADP + 2-chloro-2'-deoxyadenosine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + cytarabine
-
661330
Homo sapiens
ADP + cytarabine 5'-phosphate
-
-
-
?
2.7.1.74
ATP + lamivudine
-
661330
Homo sapiens
ADP + lamivudine 5'-phosphate
-
-
-
?
2.7.1.74
additional information
5'-phosphorylation of is a crucial step in metabolic activation of anticancer and antiviral nucleoside antimetabolites, such as cladribine, gemcitabine, cytarabine, and lamivudine
661330
Homo sapiens
?
-
-
-
-