Difference between revisions of "Model Overview"

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default [[Welcome to the In-Silico Model of γ-butyrolactone regulation in Streptomyces coelicolor|Go back to overview]]
 
default [[Welcome to the In-Silico Model of γ-butyrolactone regulation in Streptomyces coelicolor|Go back to overview]]
 
</imagemap>
 
</imagemap>
 +
 +
== Model scripts ==
 +
 +
The model scripts for the different scenarios can be found in pdf form here: [[File:GBL_Models.pdf]]
  
 
== List of Model Reactions ==
 
== List of Model Reactions ==
  
<sup>*1</sup> Reactions taking place only in the scenario which includes the activating complex <math>AR_{2}</math>
+
<sup>*1</sup> Reactions taking place only in the scenarios which includes the activating complex <math>AR_{2}</math>
 +
 
 +
<sup>*2</sup> Reactions taking place only in the scenarios which includes the antisense RNA interactions
  
<sup>*2</sup> Reactions taking place only in the scenario which includes the antisense RNA interactions
+
<sup>*3</sup> Reactions taking place only in the scenarios which include the activation of ''scbA'' by <math>R_{2}</math>
  
 
{|class="wikitable"
 
{|class="wikitable"
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! Reactions
 
! Reactions
 
|-
 
|-
|<math>O_{R} + R_{2} \rightleftharpoons O_{R}-R_{2}</math>
+
|<math>O_{R} + R_{2} \rightleftharpoons O_{R} \bullet R_{2}</math>
  
<math>O_{R}-R_{2} + R_{2} \rightleftharpoons O_{R}-2R_{2}</math>
+
<math>O_{R}\bullet R_{2} + R_{2} \rightleftharpoons O_{R}\bullet 2R_{2}</math>
  
<math>O_{A} + R_{2} \rightleftharpoons O_{A}-R_{2}</math>
+
<math>O_{A} + R_{2} \rightleftharpoons O_{A}\bullet R_{2}</math>
  
<math>O_{A}-R_{2} + R_{2} \rightleftharpoons O_{A}-2R_{2}</math>
+
<math>O_{A}\bullet R_{2} + R_{2} \rightleftharpoons O_{A}\bullet 2R_{2}</math>
  
 
<math>A + R_{2} \rightleftharpoons AR_{2}</math> <sup>*1</sup>
 
<math>A + R_{2} \rightleftharpoons AR_{2}</math> <sup>*1</sup>
  
<math>2C + R_{2} \rightleftharpoons C_{2}-R_{2}</math>
+
<math>2C + R_{2} \rightleftharpoons C_{2}\bullet R_{2}</math>
  
<math>O_{A} + AR_{2} \rightleftharpoons O_{A}-AR_{2}</math> <sup>*1</sup>
+
<math>O_{A} + AR_{2} \rightleftharpoons O_{A}\bullet AR_{2}</math> <sup>*1</sup>
  
<math>O_{A}-R_{2} + AR_{2} \rightleftharpoons O_{A}-R_{2}-AR_{2}</math> <sup>*1</sup>
+
<math>O_{A}\bullet R_{2} + AR_{2} \rightleftharpoons O_{A}\bullet R_{2}\bullet AR_{2}</math> <sup>*1</sup>
  
<math>O_{A}-2R_{2} + AR_{2} \rightleftharpoons O_{A}-2R_{2}-AR_{2}</math> <sup>*1</sup>
+
<math>O_{A}\bullet 2R_{2} + AR_{2} \rightleftharpoons O_{A}\bullet 2R_{2}\bullet AR_{2}</math> <sup>*1</sup>
  
<math>O_{A}-AR_{2} + R_{2} \rightleftharpoons O_{A}-R_{2}-AR_{2}</math> <sup>*1</sup>
+
<math>O_{A}\bullet AR_{2} + R_{2} \rightleftharpoons O_{A}\bullet R_{2}\bullet AR_{2}</math> <sup>*1</sup>
  
<math>O_{A}-R_{2}-AR_{2} + R_{2} \rightleftharpoons O_{A}-2R_{2}-AR_{2}</math> <sup>*1</sup>
+
<math>O_{A}\bullet R_{2}\bullet AR_{2} + R_{2} \rightleftharpoons O_{A}\bullet 2R_{2}\bullet AR_{2}</math> <sup>*1</sup>
  
 
<math>S \xrightarrow{A} C</math>
 
<math>S \xrightarrow{A} C</math>
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<math>O_{A} \rightarrow O_{A} + a</math>
 
<math>O_{A} \rightarrow O_{A} + a</math>
  
<math>O_{A}-AR_{2} \rightarrow O_{A}-AR_{2} + a</math> <sup>*1</sup>
+
<math>O_{A}\bullet AR_{2} \rightarrow O_{A}\bullet AR_{2} + a</math> <sup>*1</sup>
 +
 
 +
<math>O_{A}\bullet R_{2} \rightarrow O_{A}\bullet R_{2} + a</math> <sup>*3</sup>
 +
 
 +
<math>O_{A}\bullet 2R_{2} \rightarrow O_{A}\bullet 2R_{2} + a</math> <sup>*3</sup>
 +
 
 +
<math>O_{A}\bullet R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet R_{2}\bullet AR_{2} + a</math> <sup>*3</sup>
 +
 
 +
<math>O_{A}\bullet 2R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet 2R_{2}\bullet AR_{2} + a</math> <sup>*3</sup>
  
<math>a + r \rightleftharpoons r-a</math> <sup>*2</sup>
+
<math>a + r \rightleftharpoons r\bullet a</math> <sup>*2</sup>
  
 
<math>r \rightarrow r + R</math>  
 
<math>r \rightarrow r + R</math>  
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<math>C\rightarrow \varnothing</math>
 
<math>C\rightarrow \varnothing</math>
  
<math>C_{2}-R_{2}\rightarrow \varnothing</math>
+
<math>C_{2}\bullet R_{2}\rightarrow \varnothing</math>
  
 
<math>AR_{2}\rightarrow \varnothing</math> <sup>*1</sup>
 
<math>AR_{2}\rightarrow \varnothing</math> <sup>*1</sup>
  
<math>r-a\rightarrow \varnothing</math> <sup>*2</sup>
+
<math>r\bullet a\rightarrow \varnothing</math> <sup>*2</sup>
  
 
<math>C_{e}\rightarrow \varnothing</math>
 
<math>C_{e}\rightarrow \varnothing</math>
 +
 +
<math>O_{R}\bullet R_{2} \rightarrow O_{R}\bullet R_{2} + O_{R}</math>
 +
 +
<math>O_{R}\bullet 2R_{2} \rightarrow O_{R}\bullet 2R_{2} + O_{R}</math>
 +
 +
<math>O_{A}\bullet R_{2} \rightarrow O_{A}\bullet R_{2} + O_{A}</math>
 +
 +
<math>O_{A}\bullet 2R_{2} \rightarrow O_{A}\bullet 2R_{2} + O_{A}</math>
 +
 +
<math>O_{A}\bullet AR_{2} \rightarrow O_{A}\bullet AR_{2} + O_{A}</math>
 +
 +
<math>O_{A}\bullet R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet R_{2}\bullet AR_{2} + O_{A}</math>
 +
 +
<math>O_{A}\bullet 2R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet 2R_{2}\bullet AR_{2} + O_{A}</math>
  
 
|}
 
|}
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|−4.6234
 
|−4.6234
 
|1.0539
 
|1.0539
|-
 
|[[Cellular growth]]
 
|<math>μ</math>
 
|0.0004−0.0107
 
|<math>min^{-1}</math>
 
|0.0022
 
|7.5
 
|−5.4517
 
|0.80808
 
 
|}
 
|}
  
== Parameters for cell colony growth ==
+
== Parameters for cell growth ==
  
 
{|class="wikitable"
 
{|class="wikitable"
 
<table border='1' style="text-align:center">
 
<table border='1' style="text-align:center">
 
! Parameter
 
! Parameter
! Value
+
! Range of values
 
! Units
 
! Units
 
|-
 
|-
| <math>τ</math>
+
|<math>K</math>
|<math> 63-1732 </math>
+
|<math>7.14 \cdot 10^{12} - 9\cdot 10^{12}</math>
|<math> min </math>
+
|cells
 
|-
 
|-
| <math>λ</math>
+
|<math>N_0</math>
|<math> 0.8 </math>
+
|<math>5 \cdot 10^{10} - 2\cdot 10^{11}</math>
|<math> - </math>
+
|cells
 
|-
 
|-
| <math>V_{0}</math>
+
|<math>\mu_{max}</math>
|<math> 1.2 </math>
+
|<math>0.003368 - 0.007499</math>
|<math> μm^{3}</math>
+
|<math>min^{-1}</math>
 
|-
 
|-
|<math>V_{tot}</math>
+
|<math>v</math>
|<math> 2 \cdot 10^{−4} </math>
+
|<math>0.001482 - 0.5814</math>
|<math> μl</math>  
+
|<math>min^{-1}</math>
 +
|-
 +
|<math>m</math>
 +
|<math>0.47 - 2.46</math>
 +
|n.a.
 +
|-
 +
|<math>\lambda</math>
 +
|<math>330.52 - 883</math>
 +
|<math>min</math>
 
|}
 
|}
  
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== Differential equations ==
 
== Differential equations ==
  
<math> \frac{d[OR]}{dt}= -\frac{k^{-}_{1}}{K_{d1}}\cdot [O_{R}]\cdot [R_{2}] + k^{-}_{1}\cdot [O_{R}-R_{2}]+\mu\cdot[OR-2R_2] +\mu\cdot[OR-R_2]</math>
+
[[Image:Diffeq.png|850px]]
 
 
<math> \frac{d[OA]}{dt}=\mu\cdot[OA-2R_2] +\mu\cdot[OA-R_2]+\mu\cdot[OA-AR_2]+\mu\cdot[OA-R_2-AR_2]+\mu\cdot[OA-2R_2-AR_2]-\frac{k^{-}_{2}}{K_{d2}}\cdot [O_{A}]\cdot [R_{2}] + k^{-}_{2}\cdot [O_{A}-R_{2}] </math>
 
<math>-\frac{k^{-}_{5}}{K_{d5}}\cdot [O_{A}]\cdot [AR_{2}] + k^{-}_{5}\cdot [O_{A}-AR_{2}]</math>
 
 
 
<math> \frac{d[OR-2R_2]}{dt}= \frac{k^{-}_{7}}{K_{d7}}\cdot [O_{R}-R_{2}]\cdot [R_{2}] - k^{-}_{7}\cdot [O_{R}-2R_{2}]-\mu\cdot[OR-2R_2]</math>
 
 
 
<math> \frac{d[OR-R_2]}{dt}=\frac{k^{-}_{1}}{K_{d1}}\cdot [O_{R}]\cdot [R_{2}] - k^{-}_{1}\cdot [O_{R}-R_{2}]-\frac{k^{-}_{7}}{K_{d7}}\cdot [O_{R}-R_{2}]\cdot [R_{2}] + k^{-}_{7}\cdot [O_{R}-2R_{2}]-\mu\cdot[OR-R_2]</math>
 

Latest revision as of 17:10, 16 October 2019

Go back to overview
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Model scripts

The model scripts for the different scenarios can be found in pdf form here: File:GBL Models.pdf

List of Model Reactions

*1 Reactions taking place only in the scenarios which includes the activating complex AR_{2}

*2 Reactions taking place only in the scenarios which includes the antisense RNA interactions

*3 Reactions taking place only in the scenarios which include the activation of scbA by R_{2}

Reactions
O_{R} + R_{2} \rightleftharpoons O_{R} \bullet R_{2}

O_{R}\bullet R_{2} + R_{2} \rightleftharpoons O_{R}\bullet 2R_{2}

O_{A} + R_{2} \rightleftharpoons O_{A}\bullet R_{2}

O_{A}\bullet R_{2} + R_{2} \rightleftharpoons O_{A}\bullet 2R_{2}

A + R_{2} \rightleftharpoons AR_{2} *1

2C + R_{2} \rightleftharpoons C_{2}\bullet R_{2}

O_{A} + AR_{2} \rightleftharpoons O_{A}\bullet AR_{2} *1

O_{A}\bullet R_{2} + AR_{2} \rightleftharpoons O_{A}\bullet R_{2}\bullet AR_{2} *1

O_{A}\bullet 2R_{2} + AR_{2} \rightleftharpoons O_{A}\bullet 2R_{2}\bullet AR_{2} *1

O_{A}\bullet AR_{2} + R_{2} \rightleftharpoons O_{A}\bullet R_{2}\bullet AR_{2} *1

O_{A}\bullet R_{2}\bullet AR_{2} + R_{2} \rightleftharpoons O_{A}\bullet 2R_{2}\bullet AR_{2} *1

S \xrightarrow{A} C

O_{R} \rightarrow O_{R} + r

O_{A} \rightarrow O_{A} + a

O_{A}\bullet AR_{2} \rightarrow O_{A}\bullet AR_{2} + a *1

O_{A}\bullet R_{2} \rightarrow O_{A}\bullet R_{2} + a *3

O_{A}\bullet 2R_{2} \rightarrow O_{A}\bullet 2R_{2} + a *3

O_{A}\bullet R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet R_{2}\bullet AR_{2} + a *3

O_{A}\bullet 2R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet 2R_{2}\bullet AR_{2} + a *3

a + r \rightleftharpoons r\bullet a *2

r \rightarrow r + R

a \rightarrow a + A

2R \rightleftharpoons R_{2}

C \underset{r \cdot D}{\stackrel{D}{\rightleftharpoons}} C_{e}

r\rightarrow \varnothing

R\rightarrow \varnothing

R_{2}\rightarrow \varnothing

a\rightarrow \varnothing

A\rightarrow \varnothing

C\rightarrow \varnothing

C_{2}\bullet R_{2}\rightarrow \varnothing

AR_{2}\rightarrow \varnothing *1

r\bullet a\rightarrow \varnothing *2

C_{e}\rightarrow \varnothing

O_{R}\bullet R_{2} \rightarrow O_{R}\bullet R_{2} + O_{R}

O_{R}\bullet 2R_{2} \rightarrow O_{R}\bullet 2R_{2} + O_{R}

O_{A}\bullet R_{2} \rightarrow O_{A}\bullet R_{2} + O_{A}

O_{A}\bullet 2R_{2} \rightarrow O_{A}\bullet 2R_{2} + O_{A}

O_{A}\bullet AR_{2} \rightarrow O_{A}\bullet AR_{2} + O_{A}

O_{A}\bullet R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet R_{2}\bullet AR_{2} + O_{A}

O_{A}\bullet 2R_{2}\bullet AR_{2} \rightarrow O_{A}\bullet 2R_{2}\bullet AR_{2} + O_{A}

Parameters for model reactions

Reaction Parameter Values in literature Units Mode Spread Location

parameter (μ)

Scale

parameter (σ)

Binding of R2 to OR operator K_{d1},K_{d7} 0.005−5.8  nM 0.299 6.8 0.15471 1.1661
k^{-}_{1}, k^{-}_{7} 0.09−0.846  min^{-1} 0.489 1.98 −0.37642 0.58225
Binding of R2 to OA operator K_{d2},K_{d8} 0.005−5.8  nM 0.299 6.8 0.15471 1.1661
k^{-}_{2},k^{-}_{8} 0.09−0.846  min^{-1} 0.489 1.98 −0.37642 0.58225
Binding of R2 to A K_{d3} 10^{4}−10^{6}  nM 9.9 \cdot 10^{4} 10.02 13.192 1.2977
k^{-}_{3} 38.3-4.46 \cdot 10^{6}  min^{-1} 1879.7 23.13 9.9423 1.5503
Binding of R2 to C K_{d4} 0.0011-10400  nM 1.58 730.63 5.9389 2.3412
k^{-}_{4} 3 \cdot 10^{-4}-126  min^{-1} 0.816 244 4.2872 2.119
Binding of A-R2 to OA' operator K_{d5},K_{d9},K_{d10},K_{d11},K_{d12} 0.005−5.8  nM 0.299 6.8 0.15471 1.1661
k^{-}_{5},k^{-}_{9},k^{-}_{10},k^{-}_{11},k^{-}_{12} 0.09−0.846  min^{-1} 0.489 1.98 −0.37642 0.58225
Synthesis of C K_{C} 0.00315−85.5  min^{-1} 0.094 60.49 0.87914 1.8017
Transcription of r \Omega_{R} 0.16−8.24  min^{-1} 0.8346 3.55 0.63056 0.90076
k_{F} 18.2−33  min^{-1} 20.7 1.34 3.1107 0.28276
k_{onR} 0.0518-14.5  min^{-1} 0.867 4.09 0.78694 0.96428
Transcription of a \Omega_{A_{basal}} 0.001−0.2  min^{-1} 0.0037 10.93 −3.8324 1.3259
\Omega_{A} 0.11−5.65  min^{-1} 0.572 3.5 0.2514 0.89956
k_{onA} 0.039-8.82  min^{-1} 0.587 3.875 0.35255 0.94054
Antisense interaction between r and a K_{ar} 0.4−89  nM 7.8 7.27 3.4665 1.1882
k^{-}_{ar} 0.006−6  min^{-1} 0.223 4.8 −0.43359 1.0326
Translation of R P_{R} 0.165−5.86  min^{-1} 0.744 3.2 0.42952 0.85176
Translation of A P_{A} 0.11−4  min^{-1} 0.5 3.2 0.053356 0.85327
Formation of homo-dimer R2 K_{d6} 2.58-42.9  nM 3.89 1.9 1.6716 0.55779
k^{-}_{6} 0.144-51.2  min^{-1} 1.1997 21.7 2.5303 1.5324
Degradation of r d_{mR} 0.03−0.365 min^{-1} 0.14 2.06 −1.5916 0.60824
Degradation of R d_{R} 5.02 \cdot 10^{-4}- 0.00578 min^{-1} 0.00144 1.78 −6.2837 0.50981
Degradation of R2 d_{R_{2}} 5.02 \cdot 10^{-4}- 0.00578 min^{-1} 0.00144 1.78 −6.2837 0.50981
Degradation of a d_{mA} 0.03−0.365 min^{-1} 0.14 2.06 −1.5916 0.60824
Degradation of A d_{A} 5.02 \cdot 10^{-4}- 0.00578 min^{-1} 0.00144 1.78 −6.2837 0.50981
Degradation of C d_{C} 7.68 \cdot 10^{-5}- 2 \cdot 10^{-2} min^{-1} 0.0032 5.1 −4.6234 1.0539
Degradation of C2-R2 d_{CR} 5.02 \cdot 10^{-4}- 0.00578 min^{-1} 0.00144 1.78 −6.2837 0.50981
Degradation of A-R2 d_{AR} 5.02 \cdot 10^{-4}- 0.00578 min^{-1} 0.00144 1.78 −6.2837 0.50981
Degradation of r-a d_{mRA} 0.35−69.3 min^{-1} 4.9 14.1 2.5669 0.98835
Diffusion of C and Ce D 0.1−24 min^{-1} 2.8 4.27 1.9947 0.98233
Degradation of Ce d_{C} 7.68 \cdot 10^{-5}- 2 \cdot 10^{-2} min^{-1} 0.0032 5.1 −4.6234 1.0539

Parameters for cell growth

Parameter Range of values Units
K 7.14 \cdot 10^{12} - 9\cdot 10^{12} cells
N_0 5 \cdot 10^{10} - 2\cdot 10^{11} cells
\mu_{max} 0.003368 - 0.007499 min^{-1}
v 0.001482 - 0.5814 min^{-1}
m 0.47 - 2.46 n.a.
\lambda 330.52 - 883 min

Initial concentrations of species

Species Initial concentration Units Compartment
OR 0.9592  nM Cell
OA 0.9592  nM Cell
OR-R2 0  nM Cell
OA-R2 0  nM Cell
OA'-AR2 0  nM Cell
r 0  nM Cell
a 0  nM Cell
r-a 0  nM Cell
R 0  nM Cell
R2 0  nM Cell
A 0  nM Cell
C 0  nM Cell
AR2 0  nM Cell
C2R2 0  nM Cell
Ce 0  nM Environment

Differential equations

Diffeq.png