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Table 1 Kinetic parameters and metabolite concentrations used in a computational model of the E. coli thioredoxin system.

From: The logic of kinetic regulation in the thioredoxin system

 

Value

Reference

Metabolites

(μ M)

 

NADPH

137

[61]

NADP

1

-

TrxSH

1

[62]a

TrxSS

1

[62]a

PSS

4.23

b

PSH

1

-

MetSO

970

b

Met

4.83 × 104

b

PAPS

0.07

[59]b, c

SO32-

1

-

PAP

1

-

H2O2

0.02

[27, 28]

H2O

1

-

Thioredoxin

  

reductase

  

[TR]

4.74 μ M

[50]

k cat

22.75 s-1

[63]

K nadph

1.2 μ M

[64]

K trxss

2.8 μ M

[64]

PSS reduction

  

k 2

0.064 μ M-1s-1

[10]

Methionine sulfoxide

  

reductase

  

[MsrA]

2.35 μ M

b

k cat

3.7 s-1

[12]

K metso

1900 μ M

[12]

K trxsh

10 μ M

[12]

PAPS reductase

  

[PR]

0.345 μ M

b

k cat

3.5 s-1

[14]

K paps

22.5 μ M

[14]

K trxsh

13.7 μ M

[14]

k pr

0.156 μ M-1s-1

b

Tpx

  

[Tpx]

4.88 μ M

[57]

k H2O2

44 μ M-1.s-1

[15]

k trxsh

3000 μ M-1.s-1

[15]

  1. a Total thioredoxin concentration (TrxSH + TrxSS) obtained from [62]
  2. bDiscussed in Methods "Realistic model of the E. coli thioredoxin system"
  3. c Estimated from bakers yeast
  4. A realistic computational model of the E. coli thioredoxin system (Figure 1) containing reactions for the reduction of methionine sulfoxide (MetSO) by methionine sulfoxide reductase A (MsrA), the reduction of 3'-phosphoadenosine-5'-phosphosulfate (PAPS) to adenosine-3'-5'-bisphosphate (PAP) by PAPS reductase, the reduction of the H2O2 by Tpx and thioredoxin, the reduction of cellular protein disulfides (PSS) to protein thiols (PSH) by thioredoxin and a thioredoxin reductase reaction was developed. Fixed parameters whose values did not affect the model outputs were set to 1 μ M.