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show all sequences of 1.1.99.21

Structural insights into the binding mode of D-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations

Selvaraj, C.; Krishnasamy, G.; Jagtap, S.; Patel, S.; Dhiman, S.; Kim, T.; Singh, S.; Lee, J.; Biochem. Eng. J. 114, 244-256 (2016)
No PubMed abstract available

Data extracted from this reference:

KM Value [mM]
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
additional information
-
additional information
protein-ligand molecular docking and thermodynamics, overview
Gluconobacter oxydans
Localization
Localization
Commentary
Organism
GeneOntology No.
Textmining
membrane
membrane-bound dehydrogenase
Gluconobacter oxydans
16020
-
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
D-sorbitol + acceptor
Gluconobacter oxydans
-
L-sorbose + reduced acceptor
-
-
?
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Gluconobacter oxydans
-
-
-
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
D-sorbitol + acceptor
-
740006
Gluconobacter oxydans
L-sorbose + reduced acceptor
-
-
-
?
additional information
binding mode of D-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations, His302, Met366, and Asp368 actively participate in D-sorbitol binding, H302 directly forms hydrogen bonds with D-sorbitol and the role of His302 is to hold the D-sorbitol, overview
740006
Gluconobacter oxydans
?
-
-
-
-
Subunits
Subunits
Commentary
Organism
?
x * 53580, about, sequence calculation
Gluconobacter oxydans
More
structure analysis by QM-polarized ligand docking and molecular dynamics simulations, modelling, overview
Gluconobacter oxydans
KM Value [mM] (protein specific)
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
additional information
-
additional information
protein-ligand molecular docking and thermodynamics, overview
Gluconobacter oxydans
Localization (protein specific)
Localization
Commentary
Organism
GeneOntology No.
Textmining
membrane
membrane-bound dehydrogenase
Gluconobacter oxydans
16020
-
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
D-sorbitol + acceptor
Gluconobacter oxydans
-
L-sorbose + reduced acceptor
-
-
?
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
D-sorbitol + acceptor
-
740006
Gluconobacter oxydans
L-sorbose + reduced acceptor
-
-
-
?
additional information
binding mode of D-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations, His302, Met366, and Asp368 actively participate in D-sorbitol binding, H302 directly forms hydrogen bonds with D-sorbitol and the role of His302 is to hold the D-sorbitol, overview
740006
Gluconobacter oxydans
?
-
-
-
-
Subunits (protein specific)
Subunits
Commentary
Organism
?
x * 53580, about, sequence calculation
Gluconobacter oxydans
More
structure analysis by QM-polarized ligand docking and molecular dynamics simulations, modelling, overview
Gluconobacter oxydans
General Information
General Information
Commentary
Organism
malfunction
mutation of His302 results in the denaturation of protein structure and loss of stability
Gluconobacter oxydans
metabolism
membrane-bound D-sorbitol dehydrogenase is involved in the biotransformation of D-sorbitol to L-sorbose
Gluconobacter oxydans
additional information
sequence alignment-based homology modeling using the structure of NAD-bound sorbitol dehydrogenase, EC 1.1.1.14, with UniProt ID Q9KWR5 as template
Gluconobacter oxydans
General Information (protein specific)
General Information
Commentary
Organism
malfunction
mutation of His302 results in the denaturation of protein structure and loss of stability
Gluconobacter oxydans
metabolism
membrane-bound D-sorbitol dehydrogenase is involved in the biotransformation of D-sorbitol to L-sorbose
Gluconobacter oxydans
additional information
sequence alignment-based homology modeling using the structure of NAD-bound sorbitol dehydrogenase, EC 1.1.1.14, with UniProt ID Q9KWR5 as template
Gluconobacter oxydans
Other publictions for EC 1.1.99.21
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)
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Fredslund
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-
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114
244-256
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1
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1
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2
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3
3
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741426
Kim
A highly efficient sorbitol de ...
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6
33438
2016
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1
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2
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6
2
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1
1
4
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5
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6
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2
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1
1
4
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1
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2
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6
1
1
1
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1
1
1
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2
2
-
1
1
740961
Xu
Enhanced production of L-sorbo ...
Gluconobacter oxydans, Gluconobacter oxydans WSH-003
Microb. Cell Fact.
13
146
2014
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1
1
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1
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1
1
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724595
Soemphol
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Gluconobacter frateurii, Gluconobacter frateurii THD32
Biosci. Biotechnol. Biochem.
76
1497-1505
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1
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684722
Yang
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477
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685690
Soemphol
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72
842-850
2008
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1
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3
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1
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1
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695746
Yang
Membrane-bound pyrroloquinolin ...
Gluconobacter oxydans, Gluconobacter oxydans M5
Appl. Environ. Microbiol.
74
5250-5253
2008
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1
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3
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1
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1
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672655
Toyama
Molecular properties of membra ...
Gluconobacter frateurii
Biosci. Biotechnol. Biochem.
69
1120-1129
2005
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654267
Matsushita
5-Keto-D-gluconate production ...
Gluconobacter oxydans
Appl. Environ. Microbiol.
69
1959-1966
2003
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1
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1
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1
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1
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8
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1
1
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1
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8
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1
1
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389912
Shinagawa
-
Purification and characterizat ...
Gluconobacter oxydans
Agric. Biol. Chem.
46
135-141
1982
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3
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1
1
1
4
1
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1
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4
1
1
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1
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389913
Shinagawa
-
D-Sorbitol dehydrogenase from ...
Gluconobacter oxydans
Methods Enzymol.
89
141-145
1982
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1
1
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4
1
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1
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1
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4
1
1
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1
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3
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3
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1
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4
1
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4
1
1
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1
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657542
Kinast
-
Vierstufige 1-Desoxynojirimyci ...
Gluconobacter oxydans
Angew. Chem.
93
799-800
1981
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