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show all sequences of 1.1.1.209

Structure of 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) holoenzyme from an orthorhombic crystal form: an insight into the bifunctionality of the enzyme

Dhagat, U.; Carbone, V.; Chung, R.P.; Schulze-Briese, C.; Endo, S.; Hara, A.; El-Kabbani, O.; Acta Crystallogr. Sect. F 63, 825-830 (2007)

Data extracted from this reference:

Crystallization (Commentary)
Crystallization
Organism
purified recombinant enzyme, in a AKR1C21-NADPH binary complex, hanging drop vapour diffusion method, 22°C, 18 mg/ml of protein in 0.1 M HEPES, pH 7.5, 10% PEG 6000, and 5% 2-methyl-2,4-pentanediol, mixing with an equal volume of the crystallization buffer, and equilibration against 1 ml reservoir solution, X-ray diffraction structure determination and analysis at 1.8 A resolution
Mus musculus
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
21-hydroxy-5beta-pregnane-3,20-dione + NADPH
Mus musculus
-
21-hydroxy-5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
r
5beta-pregnane-3alpha,20alpha-diol + NADPH + H+
Mus musculus
-
5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
r
androstenedione + NADPH + H+
Mus musculus
-
androsterone + NADP+
-
-
r
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Mus musculus
Q91WR5
-
-
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
21-hydroxy-5beta-pregnane-3,20-dione + NADPH
-
684185
Mus musculus
21-hydroxy-5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
-
r
5beta-pregnane-3alpha,20alpha-diol + NADPH + H+
-
684185
Mus musculus
5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
-
r
androstenedione + NADPH + H+
-
684185
Mus musculus
androsterone + NADP+
-
-
-
r
additional information
a bifunctional enzyme that catalyses the oxidoreduction of the 3- and 17-hydroxy/keto groups of steroid substrates such as oestrogens, androgens and neurosteroids, 5beta-pregnane-3alpha,20alpha-diol, 21-hydroxy-5beta-pregnane-3,20-dione, and androstenedione are docked into the substrate-binding cavity and structure analysis, Lys31, Gly225 and Gly226 are important for ligand recognition and orientation in the active site, molecular-docking simulations, overview
684185
Mus musculus
?
-
-
-
-
Cofactor
Cofactor
Commentary
Organism
Structure
NADP+
binding structure, overview
Mus musculus
NADPH
binding structure, overview
Mus musculus
Cofactor (protein specific)
Cofactor
Commentary
Organism
Structure
NADP+
binding structure, overview
Mus musculus
NADPH
binding structure, overview
Mus musculus
Crystallization (Commentary) (protein specific)
Crystallization
Organism
purified recombinant enzyme, in a AKR1C21-NADPH binary complex, hanging drop vapour diffusion method, 22°C, 18 mg/ml of protein in 0.1 M HEPES, pH 7.5, 10% PEG 6000, and 5% 2-methyl-2,4-pentanediol, mixing with an equal volume of the crystallization buffer, and equilibration against 1 ml reservoir solution, X-ray diffraction structure determination and analysis at 1.8 A resolution
Mus musculus
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
21-hydroxy-5beta-pregnane-3,20-dione + NADPH
Mus musculus
-
21-hydroxy-5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
r
5beta-pregnane-3alpha,20alpha-diol + NADPH + H+
Mus musculus
-
5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
r
androstenedione + NADPH + H+
Mus musculus
-
androsterone + NADP+
-
-
r
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
21-hydroxy-5beta-pregnane-3,20-dione + NADPH
-
684185
Mus musculus
21-hydroxy-5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
-
r
5beta-pregnane-3alpha,20alpha-diol + NADPH + H+
-
684185
Mus musculus
5beta-pregnane-20alpha-ol-3-one + NADP+
-
-
-
r
androstenedione + NADPH + H+
-
684185
Mus musculus
androsterone + NADP+
-
-
-
r
additional information
a bifunctional enzyme that catalyses the oxidoreduction of the 3- and 17-hydroxy/keto groups of steroid substrates such as oestrogens, androgens and neurosteroids, 5beta-pregnane-3alpha,20alpha-diol, 21-hydroxy-5beta-pregnane-3,20-dione, and androstenedione are docked into the substrate-binding cavity and structure analysis, Lys31, Gly225 and Gly226 are important for ligand recognition and orientation in the active site, molecular-docking simulations, overview
684185
Mus musculus
?
-
-
-
-
Other publictions for EC 1.1.1.209
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)
710716
Dhagat
Studies on a Tyr residue criti ...
Mus musculus
Acta Crystallogr. Sect. D
66
198-204
2010
-
-
-
1
3
-
-
36
-
-
-
-
-
2
-
-
-
-
-
-
-
-
12
-
-
-
-
38
-
-
-
-
-
-
-
-
-
-
-
1
3
-
-
-
-
36
-
-
-
-
-
-
-
-
-
-
-
-
12
-
-
-
-
38
-
-
-
-
-
-
-
-
36
36
695325
Dhagat
Structure of the G225P/G226P m ...
Mus musculus
Acta Crystallogr. Sect. D
65
257-265
2009
-
-
1
1
1
-
1
16
-
-
-
-
-
2
-
-
1
-
-
-
-
-
10
-
-
-
-
16
-
-
-
1
-
-
2
-
-
1
1
1
1
-
2
1
-
16
-
-
-
-
-
-
-
1
-
-
-
-
10
-
-
-
-
16
-
-
-
-
-
-
-
-
-
-
685538
Dhagat
Inhibition of 3(17)alpha-hydro ...
Mus musculus
Bioorg. Med. Chem.
16
3245-3254
2008
-
-
-
-
-
-
10
-
-
-
-
1
-
2
-
-
-
-
-
-
-
-
1
-
1
-
-
-
1
-
-
-
-
-
9
-
-
-
-
-
-
-
9
10
-
-
-
-
-
1
-
-
-
-
-
-
-
-
1
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
684185
Dhagat
Structure of 3(17)alpha-hydrox ...
Mus musculus
Acta Crystallogr. Sect. F
63
825-830
2007
-
-
-
1
-
-
-
-
-
-
-
3
-
2
-
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
-
2
-
-
-
-
-
-
2
1
-
-
-
-
-
-
-
-
-
3
-
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
667072
El-Kabbani
Crystallization and preliminar ...
Mus musculus
Acta crystallogr. Sect. F
61
688-690
2005
-
-
1
1
-
-
-
-
-
-
1
-
-
2
-
-
1
-
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
1
-
1
-
-
-
-
-
-
-
-
1
-
-
-
-
1
-
1
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
389547
Lin
Expression and characterizatio ...
Homo sapiens
Mol. Endocrinol.
11
1971-1984
1997
-
-
1
-
-
-
-
4
-
-
-
-
-
1
-
-
-
-
-
5
3
-
3
-
-
-
-
4
-
-
-
-
-
-
-
-
-
1
-
-
-
-
-
-
-
4
-
-
-
-
-
-
-
-
-
5
3
-
3
-
-
-
-
4
-
-
-
-
-
-
-
-
-
-
286234
Nakagawa
Identification of two dihydrod ...
Mus musculus
J. Biochem.
106
633-638
1989
-
-
-
-
-
-
10
13
-
-
2
-
-
3
-
-
1
-
-
1
1
-
27
1
-
-
-
-
1
-
-
-
-
-
-
-
-
-
-
-
-
-
-
10
-
13
-
-
2
-
-
-
-
1
-
1
1
-
27
1
-
-
-
-
1
-
-
-
-
-
-
-
-
-
286232
Lau
A 3(17) alpha-hydroxysteroid d ...
Oryctolagus cuniculus
J. Biol. Chem.
257
9444-9449
1982
-
-
-
-
-
-
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-
1
-
2
-
-
1
-
-
1
-
-
1
-
1
5
1
-
-
-
-
-
-
-
4
-
-
-
-
-
-
4
-
-
-
-
-
-
-
1
-
2
-
-
-
-
1
-
1
-
1
5
1
-
-
-
-
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-
-
-
-
-
-
-
-
-
286233
Lau
Comparison of the multiple for ...
Oryctolagus cuniculus
J. Biol. Chem.
257
9450-9456
1982
-
-
-
-
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-
1
6
1
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1
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-
2
-
-
6
-
-
-
-
-
1
-
-
4
-
-
-
-
-
-
4
-
-
-
-
1
-
6
1
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-
-
-
-
-
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2
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6
-
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-
-
-
1
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