Transformation of 12-HPETE to 12-HETE

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12-HPETE is reduced by phospholipid hydroperoxide glutathione peroxidase (PHGPx) to the corresponding alcohol, 12-HETE (Suth01). 12-HETE is found in high concentrations in the skin and is renowned for acting as a chemoattractant during inflammation, with binding sites on both LCs and keratinocyte cells (Dowd, Kobza Black et al. 1985).

Reaction

Chemical equation

$12-HPETE \rightleftharpoons 12-HETE$

Rate equation

Parameters

Note that the literature values are the same as reaction 12.

K_ms

Literature values

Value	Units	Species	Notes	Weight	Reference
3.00E-01	$mM$	Human	Expression Vector: Bioimprited Enzyme - Selenosubtilisin Enzyme: Glutathione Peroxidase pH: 7 Temperature: 37	512
11.1 ± 2.90E-01	$mM$	Human	Expression Vector: E Coli Enzyme: Wild Type Glutathione Peroxidase Enzyme (Se-hGSTZ1-1) pH: 7 Temperature: 37	1024
4.00E-03	$mM$	Rat	Expression Vector: Rat Liver Cells Enzyme: Glutathione Peroxidase pH: 7.4 Temperature: 37	768

Description of the PHGPx Kms distribution

Mode (mM)	Confidence Interval	Location parameter (µ)	Scale parameter (σ)
3.19E-01	1.02E+03	2.54E+00	1.92E+00

The estimated probability distribution for PHGPx Kms. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

K_mp

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.

Description of the PHGPx Kmp distribution

Mode (mM)	Location parameter (µ)	Scale parameter (σ)
3.15E-01	2.53E+00	1.92E+00

The estimated probability distribution for PHGPx Kmp. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

k_cat

Literature values

Value	Units	Species	Notes	Weight	Reference
1170 ± 50	$min^{-1}$	Human	Expression Vector: Bioimprited Enzyme - Selenosubtilisin Enzyme: Glutathione Peroxidase pH: 7 Temperature: 37	512
24500 ± 150	$min^{-1}$	Human	Expression Vector: E Coli Enzyme: Wild Type Glutathione Peroxidase Enzyme (Se-hGSTZ1-1) pH: 7 Temperature: 37	1024

Description of the PHGPx kcat distribution

Mode (min-1)	Confidence Interval	Location parameter (µ)	Scale parameter (σ)
2.44E+04	4.20E+00	1.11E+01	9.75E-01

The estimated probability distribution for PHGPx kcat. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

Enzyme concentration

Literature values

Value	Units	Species	Notes	Weight	Reference
459	$ppm$	Human	Expression Vector: Skin Enzyme: PHGPx pH: 7.5 Temperature: 37 °C	2048
307	$ppm$	Human	Expression Vector: Lung Enzyme: PHGPx pH: 7.5 Temperature: 37 °C	1024
282	$ppm$	Human	Expression Vector: Esophagus Enzyme: PHGPx pH: 7.5 Temperature: 37 °C	1024
204	$ppm$	Human	Expression Vector: Gut Enzyme: PHGPx pH: 7.5 Temperature: 37 °C	1024

Description of the PHGPx concentration distribution

Mode (mM)	Confidence Interval	Location parameter (µ)	Scale parameter (σ)
3.14E+02	1.38E+00	5.85E+00	3.09E-01

The estimated probability distribution for PHGPx concentration. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.

K_eq

Literature values

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

Description of the PHGPx Keq distribution

Mode	Confidence Interval	Location parameter (µ)	Scale parameter (σ)
5.90E+19	1.00E+01	4.63E+01	8.90E-01

The estimated probability distribution for PHGPx Keq. The value and weight of the literature values used to define the distribution are indicated by an orange dashed line. The x axis is plotted on a log-scale.