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Table 1 Model ℳ(39, 65, 90).

From: Robust simplifications of multiscale biochemical networks

reaction

kinetic constants

IKK → IKK|active

k1 = 0.0025

IKK → null

k2 = 0.000125

null → IKK

k3 = 1e-005

IKK|active + A20 → A20 + IKK|inactive

k4 = 0.1

IKK|active → IKK|inactive

k5 = 0.0015

IKK|active → null

k6 = 0.000125

IKK|active + IkBa@csl → IKK|active:IkBa

k7 = 0.24

IKK|active:IkBa → IKK|active

k8 = 0.1

IKK|active + IkBa:p50:p65@csl → IKK|active:IkBa:p50:p65

k9 = 1.2

IKK|active:IkBa:p50:p65 → IKK|active + p50:p65@csl

k10 = 0.1

IKK|inactive → null

k11 = 0.000125

IkBa:p50:p65@csl → p50:p65@csl

k12 = 2e-005

p50:p65@csl + IkBa@csl ⇌ IkBa:p50:p65@csl

kf13 = 0.5 kr13 = 0

p50:p65@ncl + IkBn ⇌ IkBa:p50:p65@ncl

kf14 = 0.5 kr14 = 0

p50:p65@csl ⇌ k v p50:p65@ncl

kf15 = 0.0025 kr15 = 8e-005

mRNAA20 → mRNAA20 + A20

k16 = 0.5

mRNAA20 → null

k17 = 0.0004

A20 → null

k18 = 0.0003

null → mRNAA20

k19 = 0

p50:p65@ncl → p50:p65@ncl + mRNAA20

k20 = 5e-007

IkBa@csl → null

k21 = 0.0001

mRNAIkBa → mRNAIkBa + IkBa@csl

k22 = 0.5

IkBa@csl ⇌ k v IkBn

kf23 = 0.001 kr23 = 0.0005

null → mRNAIkBa

k25 = 0

mRNAIkBa → null

k27 = 0.0004

k v IkBa:p50:p65@ncl → IkBa:p50:p65@csl

kf28 = 0.01 kr28 = 0

Prop105:RNAP + FTAx ⇌ Prop105:RNAP:FTAx

kf32 = 10 kr32 = 0.0001

Prop105:RNAP → Prop105:RNAP + RNAP1|active

k33 = 0.0005

Prop105:RNAP:FTAx → Prop105:RNAP:FTAx + RNAP1|active

k34 = 0.1

RNAP1|active → mRNAp105

k35 = 0.01

mRNAp105 → mRNAp105 + p105

k36 = 0.0041

mRNAp105 → null

k37 = 5e-005

p105 → null

k38 = 6e-005

p105 → p50

k39 = 0.00013

p50 → null

k40 = 6.4e-005

FTAy + Prop65:RNAP ⇌ Prop65:RNAP:FTAy

kf41 = 10 kr41 = 0.0001

Prop65:RNAP → Prop65:RNAP + RNAP2|active

k42 = 0.0005

Prop65:RNAP:FTAy → Prop65:RNAP:FTAy + RNAP2|active

k43 = 0.1

RNAP2|active → mRNAp65

k44 = 0.016

mRNAp65 → mRNAp65 + p65

k45 = 0.0053

mRNAp65 → null

k46 = 5e-005

p65 → null

k47 = 6.4e-005

FTAz + ProIkBa:RNAP ⇌ ProIkBa:RNAP:FTAz

kf48 = 10 kr48 = 0.0001

ProIkBa:RNAP → ProIkBa:RNAP + RNAP3|active

k49 = 0.0005

ProIkBa:RNAP:FTAz → ProIkBa:RNAP:FTAz + RNAP3|active

k50 = 0.02

RNAP3|active → mRNAIkBa

k51 = 0.025

p50 + p65 ⇌ p50:p65@csl

kf52 = 0.003 kr52 = 0.001

p50:p65@csl → null

k53 = 0.0002

p50:p65@ncl → null

k54 = 0.0002

p50:p65@ncl + ProIkBa:RNAP ⇌ ProIkBa:RNAP:p50:p65

kf55 = 0.62 kr55 = 0.00048

p50:p65@ncl + ProIkBa:RNAP:FTAz ⇌ ProIkBa:RNAP:FTAz:p50:p65

kf56 = 0.62 kr56 = 0.00048

IkBn + p50:p65@nclProIkBa:RNAP ⇌ ProIkBa:RNAP:p50:p65:IkBa

kf57 = 18.4 kr57 = 0.055

IkBn + ProIkBa:RNAP:FTAz:p50:p65 ⇌ IkBnProIkBa:RNAP:FTAz:p50:p65

kf58 = 18.4 kr58 = 0.055

ProIkBa:RNAP:p50:p65:IkBa ⇌ IkBa:p50:p65@ncl + ProIkBa:RNAP

kf59 = 0.0038 kr59 = 8e-013

IkBnProIkBa:RNAP:FTAz:p50:p65 ⇌ IkBa:p50:p65@ncl + ProIkBa:RNAP:FTAz

kf60 = 0.0038 kr60 = 8e-013

p50:p65@nclProIkBa:RNAP → p50:p65@nclProIkBa:RNAP + RNAP3|active

k61 = 0.06

ProIkBa:RNAP:FTAz:p50:p65 → ProIkBa:RNAP:FTAz:p50:p65 + RNAP3|active

k62 = 0.6

p50:p65@ncl + Prop105:RNAP ⇌ Prop105:RNAP:p50:p65

kf63 = 0.62 kr63 = 0.00048

p50:p65@ncl + Prop105:RNAP:FTAx ⇌ Prop105:RNAP:FTAx:p50:p65

kf64 = 0.62 kr64 = 0.00048

IkBn + Prop105:RNAP:p50:p65 ⇌ Prop105:RNAP:p50:p65:IkBa

kf65 = 18.4 kr65 = 0.055

IkBn + Prop105:RNAP:FTAx:p50:p65 ⇌ Prop105:RNAP:FTAx:p50:p65:IkBa

kf66 = 18.4 kr66 = 0.055

Prop105:RNAP:p50:p65:IkBa ⇌ IkBa:p50:p65@ncl + Prop105:RNAP

kf67 = 0.0038 kr67 = 8e-013

Prop105:RNAP:FTAx:p50:p65:IkBa ⇌ IkBa:p50:p65@ncl + Prop105:RNAP:FTAx

kf68 = 0.0038 kr68 = 8e-013

Prop105:RNAP:p50:p65 → Prop105:RNAP:p50:p65 + RNAP1|active

k69 = 0.006

Prop105:RNAP:FTAx:p50:p65 → Prop105:RNAP:FTAx:p50:p65 + RNAP1|active

k70 = 0.06

IkBa:p50:p65@csl → null

k71 = 0.0002

IkBa:p50:p65@ncl → null

k72 = 0.0002

  1. Detailed description of the complex model for NF-κB signalling. The names of the species are provided following the template similar to that proposed in B7676: Entity1name|Modifications ...: Entity2name|Modifications...[|active]@compartment. Here, the colon symbol ':' delimitates components of a complex. Optional suffix 'active' describes the active state of the protein. The localization information (@compartment suffix) is provided when a protein or complex exists in both nucleus (@ncl) and cytoplasm (@csl). Mass action law constants are either in s-1 or in μMs-1 units. kv parameter (cytoplasm/nucleus volume ratio) is set up to 5. First reactions in the list (Re1–Re28) correspond to the Lipniacky's model.