BRENDA - Enzyme Database
show all sequences of 3.3.2.13

How chorismatases regulate distinct reaction channels in a single conserved active pocket mechanistic analysis with QM/MM (ONIOM) investigations

Zhang, Y.; Zhang, H.; Zheng, Q.; Chemistry 25, 1326-1336 (2019)

Data extracted from this reference:

Engineering
Protein Variants
Commentary
Organism
A244G
site-directed mutagenesis
Streptomyces hygroscopicus
V209Q
site-directed mutagenesis
Streptomyces hygroscopicus
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
ID
chorismate + H2O
Streptomyces hygroscopicus
-
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
?
Organism
Organism
UniProt
Commentary
Textmining
Streptomyces hygroscopicus
Q9KID9
-
-
Reaction
Reaction
Commentary
Organism
Reaction ID
chorismate + H2O = (4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
reaction steps are: 1. the protonation of the methylene group of chorismate, 2. nucleophilic attack by activated water at the C2' carbocation, and 3. the elimination of pyruvate
Streptomyces hygroscopicus
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
Substrate Product ID
chorismate + H2O
-
753274
Streptomyces hygroscopicus
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
-
?
chorismate + H2O
substrate binding structure analysis
753274
Streptomyces hygroscopicus
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
-
?
Synonyms
Synonyms
Commentary
Organism
CH-fkbo
-
Streptomyces hygroscopicus
fkbO
-
Streptomyces hygroscopicus
Engineering (protein specific)
Protein Variants
Commentary
Organism
A244G
site-directed mutagenesis
Streptomyces hygroscopicus
V209Q
site-directed mutagenesis
Streptomyces hygroscopicus
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
ID
chorismate + H2O
Streptomyces hygroscopicus
-
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
?
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
ID
chorismate + H2O
-
753274
Streptomyces hygroscopicus
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
-
?
chorismate + H2O
substrate binding structure analysis
753274
Streptomyces hygroscopicus
(4R,5R)-4,5-dihydroxycyclohexa-1(6),2-diene-1-carboxylate + pyruvate
-
-
-
?
General Information
General Information
Commentary
Organism
additional information
analysis of catalytic mechanisms of chorismatases EC 3.3.2.13 and EC 4.1.3.45 by molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of the Michaelis complexes of two wild-type models (FkbO and Hyg5) and four mutant models with chorismate as substrate, comparison of the catalytic mechanisms between FkbO and Hyg5, overview. The A/G residue group (A244FkbO/G240Hyg5) causes changes in the binding states of the substrate and the orientation of the catalytic glutamate, but only these changes affect the product selectivity in chorismatases limitedly. The distal V/Q residue group, which determines the internal water self-regulating ability at the active site, has significant impact on the selectivity of the catalytic mechanisms. The V/Q residue group is suggested to be an important factor to control the catalytic activities in chorismatases
Streptomyces hygroscopicus
General Information (protein specific)
General Information
Commentary
Organism
additional information
analysis of catalytic mechanisms of chorismatases EC 3.3.2.13 and EC 4.1.3.45 by molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of the Michaelis complexes of two wild-type models (FkbO and Hyg5) and four mutant models with chorismate as substrate, comparison of the catalytic mechanisms between FkbO and Hyg5, overview. The A/G residue group (A244FkbO/G240Hyg5) causes changes in the binding states of the substrate and the orientation of the catalytic glutamate, but only these changes affect the product selectivity in chorismatases limitedly. The distal V/Q residue group, which determines the internal water self-regulating ability at the active site, has significant impact on the selectivity of the catalytic mechanisms. The V/Q residue group is suggested to be an important factor to control the catalytic activities in chorismatases
Streptomyces hygroscopicus
Other publictions for EC 3.3.2.13
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Synonyms
Temperature Optimum [°C]
Temperature Range [°C]
Temperature Stability [°C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [°C] (protein specific)
Temperature Range [°C] (protein specific)
Temperature Stability [°C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
753274
Zhang
How chorismatases regulate di ...
Streptomyces hygroscopicus
Chemistry
25
1326-1336
2019
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755348
Dong
Comparative studies of the ca ...
Streptomyces hygroscopicus
Proteins
85
1146-1158
2017
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748026
Hubrich
Chorismatase mechanisms revea ...
Streptomyces hygroscopicus subsp. ascomyceticus
J. Am. Chem. Soc.
137
11032-11037
2015
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725723
Juneja
Mechanistic implications for t ...
Streptomyces hygroscopicus subsp. ascomyceticus
J. Mol. Biol.
426
105-115
2014
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1
1
5
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732211
Hubrich
In vitro production and purifi ...
Streptomyces hygroscopicus
J. Biotechnol.
191
93-98
2014
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724541
Hubrich
Cinnamic acid derivatives as i ...
Streptomyces hygroscopicus subsp. ascomyceticus
Bioorg. Med. Chem. Lett.
23
1477-1481
2013
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726377
Andexer
Biosynthesis of the immunosupp ...
Streptomyces hygroscopicus subsp. ascomyceticus
Proc. Natl. Acad. Sci. USA
108
4776-4781
2011
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