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Table 1 The reactions of the model

From: Simulating in vitro transcriptional response of zinc homeostasis system in Escherichia coli

Sub-Process Name

Reaction No.

Cellerator Form of Particular Reactions

Description

Zn2+-Sensing by ZntR

(1)

{Px + Zn ⇄ Px1, r1, r2}

apo-ZntR binding with zinc to become active ZntR

Transcriptional Activation of zntA Gene by

(2)

{Dz + Rz ⇄ Qz1, k2a, k-2}

DNA of ZntA binding with RNAP

 

(3)

{Qz1 ⇄ Dz + Mz + Rz, k3, 0}

transcription of Qz1

 

(4)

{Dz + Px ⇄ Qz4, k1b, k-1}

apo-ZntR binding with DNA

 

(5)

{Qz4+ Rz ⇄ Qz5, k2b, k-2}

apo-ZntR-DNA complex binding with RNAP

 

(6)

{Qz5 ⇄ Qz4+ Mz + Rz, k3, 0}

transcription of Qz5

 

(7)

{Dz + Px1 ⇄ Qz2, k1, k-1}

ZnZntR binding with DNA

 

(8)

{Qz2 + Rz ⇄ Qz3, k2c, k-2}

ZnZntR-DNA complex Binding with RNAP

 

(9)

{Qz3 ⇄ Qz2+ Mz + Rz, k3, 0}

transcription of Qz 3

Zn2+-Sensing by Zur

(10)

{Zn2+ Py ⇄ Py1, r3, r4}

Zn2Zur binding with zinc to become active Zur

Transcriptional Repression of znuC Gene by Zur

(11)

{Dw + Py1 ⇄ Qw2, k1a, k-1}

active Zur binding with DNA to form complex Qw2 which can not bind with RNAP

 

(12)

{Dw + Rw ⇄ Qw1, k2, k-2}

DNA of ZnuC binding with RNAP

 

(13)

{Qw1 ⇄ Dw + Mw + Rw, k3, 0}

transcription of Qw1

Zn 2+ -Binding by TPEN

(14)

{Zn + Tp ⇄ Tp1, r5, r6}

TPEN binding with zinc to form a complex

  1. Note: Abbreviations and synonyms used in this table are as follows: Zn (free zinc ion); Px (apo-ZntR); Px1 (active ZntR, i.e., ZnZntR); Py (the Zur dimer which contains two zinc ions per dimer, here we denote it as Zn2Zur and it is denoted as Zn1Zur in [22]); Py1 (active Zur, i.e., the Zur dimer which contains four zinc ions per dimer, here we denote it as Zn4Zur and it is denoted as Zn2Zur in [22]); Z (ZntA); DZ (DNA of ZntA); Rz (RNA polymerase for zntA transcription); Mz (mRNA of ZntA); Qz1 (transcription initiation complex formed by Dz and Rz); Qz2 (ZnZntR-DNA complex); Qz3 (transcription initiation complex formed by Qz2 and Rz); Qz4 (apo-ZntR-DNA complex); Qz5 (transcription initiation complex formed by Qz4 and Rz); w (ZnuC);Dw (DNA of ZnuC); Rw (RNA polymerase for znuC transcription); Mw (mRNA of ZnuC); Qw1 (transcription initiation complex of ZnuC); Qw2 (Zn4Zur-DNA complex which can not further bind with Rw); Tp (free TPEN not bound by zinc); Tp1 (zinc-bound TPEN); RNAP (RNA polymerase).