Difference between revisions of "Transformation of 12-HPETE to 12-HETE"
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[[Welcome to the In-Silico Model of Cutaneous Lipids Wiki | Return to overview]] | [[Welcome to the In-Silico Model of Cutaneous Lipids Wiki | Return to overview]] | ||
− | 12-HPETE | + | Upon being generated, 12-HPETE can be reduced by an oxidoreductase enzyme, phospholipid hydroperoxide glutathione peroxidase (PHGPx), to form 12-HETE respectively. |
== Reaction == | == Reaction == | ||
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! Species | ! Species | ||
! Notes | ! Notes | ||
+ | ! Weight | ||
! Reference | ! Reference | ||
|- | |- | ||
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pH: 7 | pH: 7 | ||
Temperature: 37 | Temperature: 37 | ||
+ | |512 | ||
|<ref name="Liu2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18163571 Liu L. "Functional mimicry of the active site of glutathione peroxidase by glutathione imprinted selenium-containing protein.'' Biomacromolecules. 2008 Jan;9(1):363-8. doi: 10.1021/bm7008312. Epub 2007 Dec 29.]</ref> | |<ref name="Liu2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18163571 Liu L. "Functional mimicry of the active site of glutathione peroxidase by glutathione imprinted selenium-containing protein.'' Biomacromolecules. 2008 Jan;9(1):363-8. doi: 10.1021/bm7008312. Epub 2007 Dec 29.]</ref> | ||
|- | |- | ||
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pH: 7 | pH: 7 | ||
Temperature: 37 | Temperature: 37 | ||
+ | |1024 | ||
|<ref name="Zheng2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18373941 Zheng K. "A novel selenium-containing glutathione transferase zeta1-1, the activity of which surpasses the level of some native glutathione peroxidases.'' Int J Biochem Cell Biol. 2008;40(10):2090-7. doi: 10.1016/j.biocel.2008.02.006. Epub 2008 Feb 15.]</ref> | |<ref name="Zheng2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18373941 Zheng K. "A novel selenium-containing glutathione transferase zeta1-1, the activity of which surpasses the level of some native glutathione peroxidases.'' Int J Biochem Cell Biol. 2008;40(10):2090-7. doi: 10.1016/j.biocel.2008.02.006. Epub 2008 Feb 15.]</ref> | ||
|- | |- | ||
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pH: 7.4 | pH: 7.4 | ||
Temperature: 37 | Temperature: 37 | ||
− | + | |768 | |
|<ref name="Hirat1997"> [http://www.ncbi.nlm.nih.gov/pubmed/9030530 Hiratsuka A. "Subunit Ya-specific glutathione peroxidase activity toward cholesterol 7-hydroperoxides of glutathione S-transferases in cytosols from rat liver and skin.'' J Biol Chem. 1997 Feb 21;272(8):4763-9.]</ref> | |<ref name="Hirat1997"> [http://www.ncbi.nlm.nih.gov/pubmed/9030530 Hiratsuka A. "Subunit Ya-specific glutathione peroxidase activity toward cholesterol 7-hydroperoxides of glutathione S-transferases in cytosols from rat liver and skin.'' J Biol Chem. 1997 Feb 21;272(8):4763-9.]</ref> | ||
|- | |- | ||
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! Species | ! Species | ||
! Notes | ! Notes | ||
+ | ! Weight | ||
! Reference | ! Reference | ||
|- | |- | ||
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Enzyme: Glutathione Peroxidase | Enzyme: Glutathione Peroxidase | ||
pH: 7 | pH: 7 | ||
− | Temperature: 37 | + | Temperature: 37 |
+ | | 512 | ||
|<ref name="Liu2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18163571 Liu L. "Functional mimicry of the active site of glutathione peroxidase by glutathione imprinted selenium-containing protein.'' Biomacromolecules. 2008 Jan;9(1):363-8. doi: 10.1021/bm7008312. Epub 2007 Dec 29.]</ref> | |<ref name="Liu2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18163571 Liu L. "Functional mimicry of the active site of glutathione peroxidase by glutathione imprinted selenium-containing protein.'' Biomacromolecules. 2008 Jan;9(1):363-8. doi: 10.1021/bm7008312. Epub 2007 Dec 29.]</ref> | ||
|- | |- | ||
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pH: 7 | pH: 7 | ||
Temperature: 37 | Temperature: 37 | ||
+ | |1024 | ||
|<ref name="Zheng2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18373941 Zheng K. "A novel selenium-containing glutathione transferase zeta1-1, the activity of which surpasses the level of some native glutathione peroxidases.'' Int J Biochem Cell Biol. 2008;40(10):2090-7. doi: 10.1016/j.biocel.2008.02.006. Epub 2008 Feb 15.]</ref> | |<ref name="Zheng2008"> [http://www.ncbi.nlm.nih.gov/pubmed/18373941 Zheng K. "A novel selenium-containing glutathione transferase zeta1-1, the activity of which surpasses the level of some native glutathione peroxidases.'' Int J Biochem Cell Biol. 2008;40(10):2090-7. doi: 10.1016/j.biocel.2008.02.006. Epub 2008 Feb 15.]</ref> | ||
|- | |- | ||
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=== Enzyme concentration === | === Enzyme concentration === | ||
+ | |||
+ | To convert the enzyme concentration from ppm to mM, the following [[Common equations#Enzyme concentration (mM)|equation]] was used. | ||
{|class="wikitable sortable" | {|class="wikitable sortable" | ||
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! Species | ! Species | ||
! Notes | ! Notes | ||
+ | ! Weight | ||
! Reference | ! Reference | ||
|- | |- | ||
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pH: 7.5 | pH: 7.5 | ||
Temperature: 37 °C | Temperature: 37 °C | ||
+ | |2048 | ||
|<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | |<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | ||
|- | |- | ||
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pH: 7.5 | pH: 7.5 | ||
Temperature: 37 °C | Temperature: 37 °C | ||
+ | |1024 | ||
|<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | |<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | ||
|- | |- | ||
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pH: 7.5 | pH: 7.5 | ||
Temperature: 37 °C | Temperature: 37 °C | ||
+ | |1024 | ||
|<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | |<ref name="Wilhelm2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13319.pdf M. Wilhelm ''Mass-spectrometry-based draft of the human proteome'' Nature, 2014 509, 582–587]</ref> | ||
|- | |- | ||
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pH: 7.5 | pH: 7.5 | ||
Temperature: 37 °C | Temperature: 37 °C | ||
+ | |1024 | ||
|<ref name="Kim2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13302.pdf M. Kim ''A draft map of the human proteome'' Nature, 2014 509, 575–581]</ref> | |<ref name="Kim2014"> [http://www.nature.com/nature/journal/v509/n7502/pdf/nature13302.pdf M. Kim ''A draft map of the human proteome'' Nature, 2014 509, 575–581]</ref> | ||
|- | |- | ||
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{| class="wikitable" | {| class="wikitable" | ||
|+ style="text-align: left;" | Description of the PHGPx concentration distribution | |+ style="text-align: left;" | Description of the PHGPx concentration distribution | ||
− | ! Mode (mM) !! Confidence Interval !! Location parameter (µ) !! Scale parameter (σ) | + | ! Mode (ppm) !! Mode (mM) !! Confidence Interval !! Location parameter (µ) !! Scale parameter (σ) |
|- | |- | ||
− | | 3.14E+02 || 1.38E+00 || 5.85E+00 || 3.09E-01 | + | | 3.14E+02 ||1.74E-03|| 1.38E+00 || 5.85E+00 || 3.09E-01 |
|} | |} | ||
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! Species | ! Species | ||
! Notes | ! Notes | ||
+ | ! Weight | ||
! Reference | ! Reference | ||
|- | |- | ||
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pH: 7.3 | pH: 7.3 | ||
ionic strength: 0.25 | ionic strength: 0.25 | ||
+ | |64 | ||
|<ref name="MetaCyc”>[http://metacyc.org/META/NEW-IMAGE?type=REACTION&object=1.11.1.12-RXN Caspi et al 2014, "The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of Pathway/Genome Databases," Nucleic Acids Research 42:D459-D471]</ref> | |<ref name="MetaCyc”>[http://metacyc.org/META/NEW-IMAGE?type=REACTION&object=1.11.1.12-RXN Caspi et al 2014, "The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of Pathway/Genome Databases," Nucleic Acids Research 42:D459-D471]</ref> | ||
|} | |} |
Latest revision as of 09:20, 21 August 2019
Upon being generated, 12-HPETE can be reduced by an oxidoreductase enzyme, phospholipid hydroperoxide glutathione peroxidase (PHGPx), to form 12-HETE respectively.
Contents
Reaction
Chemical equation
Rate equation
Parameters
Note that the literature values are the same as reaction 12.
Kms
Value | Units | Species | Notes | Weight | Reference |
---|---|---|---|---|---|
3.00E-01 | Human | Expression Vector: Bioimprited Enzyme - Selenosubtilisin
Enzyme: Glutathione Peroxidase pH: 7 Temperature: 37 |
512 | [1] | |
11.1 ± 2.90E-01 | Human | Expression Vector: E Coli
Enzyme: Wild Type Glutathione Peroxidase Enzyme (Se-hGSTZ1-1) pH: 7 Temperature: 37 |
1024 | [2] | |
4.00E-03 | Rat | Expression Vector: Rat Liver Cells
Enzyme: Glutathione Peroxidase pH: 7.4 Temperature: 37 |
768 | [3] |
Mode (mM) | Confidence Interval | Location parameter (µ) | Scale parameter (σ) |
---|---|---|---|
3.19E-01 | 1.02E+03 | 2.54E+00 | 1.92E+00 |
Kmp
This is a “Dependent parameter”, meaning that the log-normal distribution for this parameter was calculated using multivariate distributions (this is discussed in detail here). As a result, no confidence interval factor or literature values were cited for this parameter.
Mode (mM) | Location parameter (µ) | Scale parameter (σ) |
---|---|---|
3.15E-01 | 2.53E+00 | 1.92E+00 |
kcat
Value | Units | Species | Notes | Weight | Reference |
---|---|---|---|---|---|
1170 ± 50 | Human | Expression Vector: Bioimprited Enzyme - Selenosubtilisin
Enzyme: Glutathione Peroxidase pH: 7 Temperature: 37 |
512 | [1] | |
24500 ± 150 | Human | Expression Vector: E Coli
Enzyme: Wild Type Glutathione Peroxidase Enzyme (Se-hGSTZ1-1) pH: 7 Temperature: 37 |
1024 | [2] |
Mode (min-1) | Confidence Interval | Location parameter (µ) | Scale parameter (σ) |
---|---|---|---|
2.44E+04 | 4.20E+00 | 1.11E+01 | 9.75E-01 |
Enzyme concentration
To convert the enzyme concentration from ppm to mM, the following equation was used.
Value | Units | Species | Notes | Weight | Reference |
---|---|---|---|---|---|
459 | Human | Expression Vector: Skin
Enzyme: PHGPx pH: 7.5 Temperature: 37 °C |
2048 | [4] | |
307 | Human | Expression Vector: Lung
Enzyme: PHGPx pH: 7.5 Temperature: 37 °C |
1024 | [4] | |
282 | Human | Expression Vector: Esophagus
Enzyme: PHGPx pH: 7.5 Temperature: 37 °C |
1024 | [4] | |
204 | Human | Expression Vector: Gut
Enzyme: PHGPx pH: 7.5 Temperature: 37 °C |
1024 | [5] |
Mode (ppm) | Mode (mM) | Confidence Interval | Location parameter (µ) | Scale parameter (σ) |
---|---|---|---|---|
3.14E+02 | 1.74E-03 | 1.38E+00 | 5.85E+00 | 3.09E-01 |
Keq
Gibbs Free Energy Change | Units | Species | Notes | Weight | Reference |
---|---|---|---|---|---|
(-26.941177) | kcal/mol | Not stated | Estimated
Enzyme: PHGPx Substrate:a hydroperoxy-fatty-acyl-[lipid] Product: a hydroxy-fatty-acyl-[lipid] pH: 7.3 ionic strength: 0.25 |
64 | [6] |
Mode | Confidence Interval | Location parameter (µ) | Scale parameter (σ) |
---|---|---|---|
5.90E+19 | 1.00E+01 | 4.63E+01 | 8.90E-01 |
Related Reactions
- ↑ 1.0 1.1 Liu L. "Functional mimicry of the active site of glutathione peroxidase by glutathione imprinted selenium-containing protein. Biomacromolecules. 2008 Jan;9(1):363-8. doi: 10.1021/bm7008312. Epub 2007 Dec 29.
- ↑ 2.0 2.1 Zheng K. "A novel selenium-containing glutathione transferase zeta1-1, the activity of which surpasses the level of some native glutathione peroxidases. Int J Biochem Cell Biol. 2008;40(10):2090-7. doi: 10.1016/j.biocel.2008.02.006. Epub 2008 Feb 15.
- ↑ Hiratsuka A. "Subunit Ya-specific glutathione peroxidase activity toward cholesterol 7-hydroperoxides of glutathione S-transferases in cytosols from rat liver and skin. J Biol Chem. 1997 Feb 21;272(8):4763-9.
- ↑ 4.0 4.1 4.2 M. Wilhelm Mass-spectrometry-based draft of the human proteome Nature, 2014 509, 582–587
- ↑ M. Kim A draft map of the human proteome Nature, 2014 509, 575–581
- ↑ Caspi et al 2014, "The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of Pathway/Genome Databases," Nucleic Acids Research 42:D459-D471