Insight into enzymatic nitrile reduction QM/MM study of the catalytic mechanism of QueF nitrile reductase
Ribeiro, A.; Yang, L.; Ramos, M.; Fernandes, P.; Liang, Z.; Hirao, H.; ACS Catal. 5, 3740-3751 (2015)
No PubMed abstract available
Data extracted from this reference:
Organism
EC Number
Organism
UniProt
Commentary
Textmining
1.7.1.13
Vibrio cholerae O1
Q9KTK0
-
-
1.7.1.13
Vibrio cholerae O1 ATCC 39315
Q9KTK0
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
Substrate Product ID
1.7.1.13
7-cyano-7-carbaguanine + 2 NADPH + 2 H+
-
741484
Vibrio cholerae O1
7-aminomethyl-7-carbaguanine + 2 NADP+
-
-
-
?
1.7.1.13
7-cyano-7-carbaguanine + 2 NADPH + 2 H+
-
741484
Vibrio cholerae O1 ATCC 39315
7-aminomethyl-7-carbaguanine + 2 NADP+
-
-
-
?
1.7.1.13
additional information
the nitrile to amine conversion proceeds through four major stages: formation of a C-S covalent bond between the substrate and the catalytic cysteine residue to form the thioimidate intermediate, hydride transfer from NADPH to the substrate to generate the thiohemiaminal intermediate, cleavage of the C-S covalent bond to generate the imine intermediate, and second hydride transfer from NADPH to the imine intermediate to generate the final amine product. The free energy barrier for the rate-limiting step, i.e. the second hydride transfer, is20.8 kcal/mol
741484
Vibrio cholerae O1
?
-
-
-
?
1.7.1.13
additional information
the nitrile to amine conversion proceeds through four major stages: formation of a C-S covalent bond between the substrate and the catalytic cysteine residue to form the thioimidate intermediate, hydride transfer from NADPH to the substrate to generate the thiohemiaminal intermediate, cleavage of the C-S covalent bond to generate the imine intermediate, and second hydride transfer from NADPH to the imine intermediate to generate the final amine product. The free energy barrier for the rate-limiting step, i.e. the second hydride transfer, is20.8 kcal/mol
741484
Vibrio cholerae O1 ATCC 39315
?
-
-
-
?
Synonyms
EC Number
Synonyms
Commentary
Organism
1.7.1.13
NADPH-dependent 7-cyano-7-deazaguanine reductase
-
Vibrio cholerae O1
1.7.1.13
QueF
-
Vibrio cholerae O1
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
1.7.1.13
NADPH
-
Vibrio cholerae O1
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
1.7.1.13
NADPH
-
Vibrio cholerae O1
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
ID
1.7.1.13
7-cyano-7-carbaguanine + 2 NADPH + 2 H+
-
741484
Vibrio cholerae O1
7-aminomethyl-7-carbaguanine + 2 NADP+
-
-
-
?
1.7.1.13
7-cyano-7-carbaguanine + 2 NADPH + 2 H+
-
741484
Vibrio cholerae O1 ATCC 39315
7-aminomethyl-7-carbaguanine + 2 NADP+
-
-
-
?
1.7.1.13
additional information
the nitrile to amine conversion proceeds through four major stages: formation of a C-S covalent bond between the substrate and the catalytic cysteine residue to form the thioimidate intermediate, hydride transfer from NADPH to the substrate to generate the thiohemiaminal intermediate, cleavage of the C-S covalent bond to generate the imine intermediate, and second hydride transfer from NADPH to the imine intermediate to generate the final amine product. The free energy barrier for the rate-limiting step, i.e. the second hydride transfer, is20.8 kcal/mol
741484
Vibrio cholerae O1
?
-
-
-
?
1.7.1.13
additional information
the nitrile to amine conversion proceeds through four major stages: formation of a C-S covalent bond between the substrate and the catalytic cysteine residue to form the thioimidate intermediate, hydride transfer from NADPH to the substrate to generate the thiohemiaminal intermediate, cleavage of the C-S covalent bond to generate the imine intermediate, and second hydride transfer from NADPH to the imine intermediate to generate the final amine product. The free energy barrier for the rate-limiting step, i.e. the second hydride transfer, is20.8 kcal/mol
741484
Vibrio cholerae O1 ATCC 39315
?
-
-
-
?