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Binding pockets and permeation channels for dioxygen through cofactorless 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase in association with its natural substrate, 3-hydroxy-2-methylquinolin-4(1H)-one. A perspective from molecular dynamics simulations

Pietra, F.; Chem. Biodivers. 11, 861-871 (2014)

Data extracted from this reference:

Crystallization (Commentary)
Crystallization
Organism
random-acceleration molecular dynamics study on 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase in complex with its natural substrate, 3-hydroxy-2-methylquinolin-4(1H)-one, in aqueous solution. Gates for expulsion of O2 from the protein, which can also be taken as gates for O2 uptake, are found throughout almost the whole external surface of the protein, alongside a variety of binding pockets for O2 . The most exploited gates and binding pockets do not correspond to the single gate and binding pocket proposed from the examination of the static model from X-ray diffraction analysis
Paenarthrobacter nitroguajacolicus
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Paenarthrobacter nitroguajacolicus
O31266
cf. EC 1.13.11.47
-
Crystallization (Commentary) (protein specific)
Crystallization
Organism
random-acceleration molecular dynamics study on 3-hydroxy-2-methylquinolin-4-one 2,4-dioxygenase in complex with its natural substrate, 3-hydroxy-2-methylquinolin-4(1H)-one, in aqueous solution. Gates for expulsion of O2 from the protein, which can also be taken as gates for O2 uptake, are found throughout almost the whole external surface of the protein, alongside a variety of binding pockets for O2 . The most exploited gates and binding pockets do not correspond to the single gate and binding pocket proposed from the examination of the static model from X-ray diffraction analysis
Paenarthrobacter nitroguajacolicus
Other publictions for EC 1.13.11.48
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
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)
742251
Pietra
Binding pockets and permeatio ...
Paenarthrobacter nitroguajacolicus
Chem. Biodivers.
11
861-871
2014
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696277
Boehm
Thermodynamic analysis of dena ...
Paenarthrobacter nitroguajacolicus, Paenarthrobacter nitroguajacolicus R-61a, Paenarthrobacter nitroguajacolicus Rü61a
Biochemistry
47
7116-7126
2008
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1
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1
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684175
Steiner
Crystallization and preliminar ...
Paenarthrobacter nitroguajacolicus, Paenarthrobacter nitroguajacolicus Rü61a, Paenarthrobacter nitroguajacolicus Rue61a
Acta Crystallogr. Sect. F
63
382-385
2007
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714163
Beermann
Stability, unfolding, and stru ...
Paenarthrobacter nitroguajacolicus, Paenarthrobacter nitroguajacolicus Rü61a
Biochemistry
46
4241-4249
2007
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673207
Frerichs-Deeken
Dioxygenases without requireme ...
Paenarthrobacter nitroguajacolicus, Paenarthrobacter nitroguajacolicus R-61a, Paenarthrobacter nitroguajacolicus Rü61a
Curr. Microbiol.
51
344-352
2005
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17
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658042
Frerichs-Deeken
Dioxygenases without requireme ...
Paenarthrobacter ilicis, Paenarthrobacter ilicis Ru61a
Biochemistry
43
14485-14499
2004
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285259
Fischer
Bacterial 2,4-dioxygenases: ne ...
Arthrobacter sp.
J. Bacteriol.
181
5725-5733
1999
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207895
Bauer
2,4-Dioxygenases catalyzing N- ...
Arthrobacter sp., Arthrobacter sp. Ru61a
Eur. J. Biochem.
240
576-583
1996
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207896
Bauer
-
A novel type of oxygenolytic r ...
Arthrobacter sp., Arthrobacter sp. Ru61a
FEMS Microbiol. Lett.
117
299-304
1994
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