msb4100201-sup

1
Supplementary Information
2
Supplementary Table S1 Mathematical Equations for the Detailed Mechanistic Model
3
of the glucose PTS
4
Module Name
Equation
Equation
5
Number
Glc
d [TIICB ]
 kp[3]  [ mRNA( ptsG )]  kx[5]  [ IICB ]  [ IIA
Glc
- P]
Glc
dt
6
Plant
 kx[6]  [ IIA ]  [ IICB
Glc
Glc
Q[6]  [ IICB ]  [ G 6 P ]
- P] +
Q[5]  [ IICB
- P ]  [ Glc ]
Glc
(1.1)
Kmich[5]  [ Glc ]
Glc

d [ IICB
Glc
Kmich[6]  [ G 6 P ]
- P]
 kx[5]  [ IICB ]  [ IIA
Glc
 kpd [28]  [TIICB ]
Glc
Glc
- P ]  kx[6]  [ IIA
]  [ IICB
Glc
Glc
- P]
dt
Q[6]  [ IICB ]  [ Glc 6 P ]
Glc
7

Kmich[6]  [ Glc 6 P ]
 kpd [28]  [ IICB
Glc

Q[5]  [ IICB
- P ]  [ Glc ]
Glc
(1.2)
Kmich[5]  [ Glc ]
- P]
Glc
d [ IIA ]
8
 kp[6]  [ mRNA( crr )]  kx[3]  [ IIA ]  [ HPr
Glc
- P ]  kx[4]  [ HPr ]  [ IIA - P ]
Glc
(1.3)
dt
 kx[5]  [ IICB ]  [ IIA ]  kx[6]  [ IIA ]  [ IICB
Glc
Glc
Glc
Glc
- P ]  kpd [27]  [ IIA
Glc
]
Glc
d [TIIA - P ]
- P ]  kx[4]  [ HPr ]  [ IIA - P ]
 kx[3]  [ IIA ]  [ HPr
Glc
Glc
dt
9
 kx[5]  [ IICB ]  [ IIA
Glc
 kpd [27]  [TIIA
d [ HPr ]
10
Glc
Glc
- P ]  kx[6]  [ IIA
Glc
Glc
(1.4)
- P]
- P]
 kp[4]  [ mRNA( ptsH )]  kx[1]  [ HPr ]  [ EI
- P ]  kx[2]  [ EI ]  [ Hpr - P]
(1.5)
dt
 kx[3]  [ IIA ]  [ HPr - P ]  kx[4]  [ HPr ]  [ IIA
Glc
d [ HPr - P ]
11
- P ]  kpd [26]  [ HPr ]
Glc
- P ]  kx[2]  [ EI ]  [ HPr - P]  kx[3]  [ IIA
 kx[1]  [ HPr ]  [ EI
Glc
]  [ HPr - P]
dt
 kx[4]  [ HPr ]  [ IIA
d [ EI ]
12
2  Q[4]  [ EI - P ]  [ Pyr ]
Kmich[4]  [ Pyr ]
2
dt
d [ EIP ]
13
dt

Kmich[3]  [ PEP ]
2
2

[TCYA]  [CYA]  [ IIA
Glc

2  Q[3]  [ EI ]  [ PEP ]
Kmich[3]  [ PEP ]
2
2
2  Q[4]  [ EI - P ]  [ Pyr ]
Kmich[4]  [ Pyr ]
 kx[2]  [ EI ]  [ HPr - P ]  kpd [25]  [ EI
Feedback
2
2
(1.7)
2
- P ]  kx[2]  [ HPr - P ]  [ EI ]  kpd [25]  [ EI ]
2  Q[3]  [ EI ]  [ PEP ]
2
(1.6)
- P ]  kpd [26]  [ HPr - P ]
Glc
 kp[5]  [ mRNA( ptsI )] 
 kx[1]  [ HPr ]  [ EI
14
]  [ IICB
- P : CYA]
2
2
2
 kx[1]  [ HPr ]  [ EI
- P]
- P]
(2.1)
(1.8)
1
Sensor
2
- P]  [ IIA - P]  [ IIA - P : CYA]
- P : CYA]  Kb[21]  [CYA]  [ IIA - P]
Glc
[TIIA
Glc
[ IIA
Glc
Glc
d [ mRNA( cyaA)]
3
Computer
(2.2)
Glc
 km[1]  (1 
(2.3)
2
[CRP : cAMP : CRPsite ( cyaA)]
dt
)  [ cyaA]
[TCRPsite ( cyaA)]
(3.1)
 km[2]  [ cyaA _ basal ]  kmd [1]  [ mRNA( cyaA)]
4
d [TCYA]
(3.2)
 kp[1]  [ mRNA( cyaA)]  kpd [1]  [TYCA]
dt
d [ mRNA( crp )]
 km[3]  (1  ra[1] 
[ CRP : cAMP : CRPsite ( crpp2 )]
dt
TCRPsite ( crpp2 )
5

[ CRP : cAMP : CRPsite ( crpp1)]
(3.3)
)  [ crp ]
TCRPsite ( crpp1)
 km[4]  [ crp _ basal ]  kmd [2]  [ mRNA( crp )]
6
d [ cAMP ]
dt

Q[1]  [ CYA]  [ ATP ]
Kmich[1]  [ ATP ]

Q[2]  [ IIA
Glc
- P : CYA]  [ ATP ]
Kmich[2]  [ ATP ]
 kpd [4]  [ cAMP ]
(3.4)
d [ TCRP ]
 kp [ 2]  [ mRNA ( crp )]  kpd [ 2]  [ CRP ]  kpd [5]  [ CRP : cAMP ]
dt
 kpd [6]  [ CRP : cAMP : CRPsite ( cyaA )]  kpd [7]  [ CRP : cAMP : CRPsite ( crpp1)]
 kpd [8]  [ CRP : cAMP : CRPsite ( crpp2 )]  kpd [9]  [ CRP : cAMP : CRPsite ( ptsGp1)]
7
 kpd [10]  [ CRP : cAMP : CRPsite ( ptsGp2 )]  kpd [11]  [ CRP : cAMP : CRPsite ( ptsHp0 )]
(3.5)
 kpd [12]  [ CRP : cAMP : CRPsite ( ptsHp1)]  kpd [13]  [ CRP : cAMP : CRPsite ( ptsIp0 )]
 kpd [14]  [ CRP : cAMP : CRPsite ( ptsIp1)]  kpd [15]  [ CRP : cAMP : CRPsite ( mlcp1)]
 kpd [16]  [ CRP : cAMP : CRPsite ( mlcp2 )]  kpd [17]  [ CRP : cAMP : CRPsite ( genome )]
[TCRP ]  [ CRP ]  [ CRP : cAMP ]  [ CRP : cAMP : CRPsite ( crpp2 )]
 [ CRP : cAMP : CRPsite ( crpp1)]  [ CRP : cAMP : CRPsite ( cyaA)]
 [ CRP : cAMP : CRPsite ( ptsIp0 )]  [ CRP : cAMP : CRPsite ( ptsIp1)]
8
 [ CRP : cAMP : CRPsite ( ptsHp0 )]  [ CRP : cAMP : CRPsite ( ptsHp1)]
(3.6)
 [ CRP : cAMP : CRPsite ( ptsGp1)]  [ CRP : cAMP : CRPsite ( ptsGp2 )]
 [ CRP : cAMP : CRPsite ( mlcp1)]  [CRP : cAMP : CRPsite ( mlcp2 )]
 [ CRP : cAMP : CRPsite ( genome )]
9
[TCRPsite( crpp2)]  [CRPsite( crpp2)]  [CRP : cAMP : CRPsite( crpp2)]
(3.7)
10
[TCRPsite(crpp1)]  [CRPsite(crpp1)]  [CRP : cAMP : CRPsite(crpp1)]
(3.8)
11
[TCRPsite(cyaA)]  [CRPsite(cyaA)]  [CRP : cAMP : CRPsite (cyaA)]
(3.9)
12
[CRP : cAMP]  Kb[1]  ([CRP]  [cAMP])
13
[CRP : cAMP : CRPsite( cyaA)]  Kb[2]  [CRP : cAMP]  [CRPsite( cyaA)]
(3.11)
14
[CRP : cAMP : CRPsite (crpp1)]  Kb[3]  [CRP : cAMP ]  [CRPsite (crpp1)]
(3.12)
15
[CRP : cAMP : CRPsite( crpp2)]  Kb[4]  [CRP : cAMP]  [CRPsite( crpp2)]
(3.13)
2
2
2
(3.10)
d [ mRNA( mlc )]
 km[12]  (1 
[ CRP : cAMP : CRPsite ( mlcp1)]
)
dt
[TCRPsite ( mlcp1)]
 (1 
1
[ Mlc : Mlcsite ( mlcp1)]
)  [ mlc ]
[TMlcsite ( mlcp1)]
Brake Actuator
 km[13] 
(4.1)
[ CRP : cAMP : CRPsite ( mlcp2 )]
[TCRPsite ( mlcp2 )]
 (1 
[ Mlc : Mlcsite ( mlcp2 )]
)  [ mlc ]  kmd [7]  [ mRNA ( mlc )]
[TMlcsite ( mlcp2 )]
d [TMlc ]
 kp[7]  [ mlc ]  kpd [3]  [ Mlc ]  kpd [18]  [ Mlc : Mlcsite ( ptsGp1)]
dt
2
 kpd [19]  [ Mlc : Mlcsite ( ptsGp2 )]  kpd [20]  [ Mlc : Mlcsite ( ptsHp0 )]
(4.2)
 kpd [21]  [ Mlc : Mlcsite ( ptsIp0 )]  kpd [22]  [ Mlc : Mlcsite ( mlcp1)]
 kpd [23]  [ Mlc : Mlcsite ( mlcp2 )]  kpd [24]  [ IICB
3
[TIICB ]  [ IICB ]  [ IICB
Glc
Glc
Glc
Glc
: Mlc ]
(4.3)
: Mlc]
[TMlc ]  [ Mlc ]  [ Mlc : Mlcsite ( mlcp1)]  [ Mlc : Mlcsite ( mlcp2 )]
4
(4.4)
[ Mlc : Mlcsite ( ptsHp0 )]  [ Mlc : Mlcsite ( ptsIp0 )]
[ Mlc : Mlcsite ( ptsGp1)]  [ Mlc : Mlcsite ( ptsGp2 )]  [ IICB
Glc
: Mlc ]
5
[TMlcsite( mlcp1)]  [ Mlcsite( mlcp1)]  [ Mlc : Mlcsite( mlcp1)]
(4.5)
6
[TMlcsite( mlcp2)]  [ Mlcsite( mlcp2)]  [ Mlc : Mlcsite ( mlcp2 )]
(4.6)
7
[TCRPsite( mlcp1)]  [CRPsite( mlcp1)]  [CRP : cAMP : CRPsite ( mlcp1)]
(4.7)
8
[TCRPsite( mlcp2)]  [CRPsite( mlcp2)]  [CRP : cAMP : CRPsite( mlcp2)]
(4.8)
9
[ Mlc : Mlcsite( mlcp1)]  Kb[18]  [ Mlc ]  [ Mlcsite (mlcp1)]
(4.9)
10
[ Mlc : Mlcsite( mlcp2)]  Kb[19]  [ Mlc]  [ Mlcsite( mlcp2)]
(4.10)
11
[ IICB
12
[CRP : cAMP : CRPsite( mlcp1)]  Kb[11]  [CRP : cAMP ]  [CRPsite( mlcp1)]
(4.12)
13
[CRP : cAMP : CRPsite ( mlcp2 )]  Kb[12]  [CRP : cAMP ]  [CRPsite ( mlcp2 )]
(4.13)
Glc
Glc
d [ mRNA( ptsG )]
 km[5] 
[ CRP : cAMP : CRPsite ( ptsGp1)]
dt
Accelerator
(4.11)
: Mlc ]  Kb[20]  [ IICB ]  [ Mlc ]
[TCRPsite ( ptsGp1)]
 (1 
[ Mlc : Mlcsite ( ptsGp1)]
)  [ ptsG ]
[TMlcsite ( ptsGp1)]
Actuator14
 km[6] 
(5.1)
[ CRP : cAMP : CRPsite ( ptsGp2 )]
[TCRPsite ( ptsGp2 )]
 (1 
[ Mlc : Mlcsite ( ptsGp2 )]
[TMlcsite ( ptsGp2 )]
)  [ ptsG ]  kmd [3]  [ mRNA ( ptsG )]
d [ mRNA( ptsH )]
 km[7] 
[ CRP : cAMP : CRPsite ( ptsHp0 )]
dt
[TCRPsite ( ptsHp0 )]
 (1 
1
[ Mlc : Mlcsite ( ptsHp0 )]
)  [ ptsH ]
(5.2)
[TMlcsite ( ptsHp0 )]
 km[8] 
[ CRP : cAMP : CRPsite ( ptsHp1)]
 [ ptsH ]
[TCRPsite ( ptsHp1)]
 kmd [4]  [ mRNA( ptsH )]
d [ mRNA( ptsI )]
 km[9] 
[ CRP : cAMP : CRPsite ( ptsIp0 )]
dt
[TCRPsite ( ptsIp0 )]
 (1 
2
[ Mlc : Mlcsite ( ptsIp0 )]
)  [ ptsI ]
(5.3)
[TMlcsite ( ptsIp0 )]
 km[10] 
[ CRP : cAMP : CRPsite ( ptsIp1)]
 [ ptsI ]
[TCRPsite ( ptsIp1)]
 kmd [5]  [ mRNA ( ptsI )]
3
d [ mRNA( crr )]
 km[11]  [ crr ]  kmd [6]  [ mRNA( crr )]
(5.4)
dt
4
[TCRPsite( genome)]  [CRPsite( genome)]  [CRP : cAMP : CRPsite( genome)]
(5.5)
5
[TCRPsite( ptsGp1)]  [CRPsite( ptsGp1)]  [CRP : cAMP : CRPsite ( ptsGp1)]
(5.6)
6
[TCRPsite( ptsGp2)]  [CRPsite( ptsGp2)]  [CRP : cAMP : CRPsite( ptsGp2)]
(5.7)
7
[TCRPsite( ptsHp0 )]  [CRPsite( ptsHp0 )]  [CRP : cAMP : CRPsite( ptsHp0 )]
(5.8)
8
[TCRPsite( ptsHp1)]  [CRPsite ( ptsHp1)]  [CRP : cAMP : CRPsite( ptsHp1)]
(5.9)
9
[TCRPsite( ptsIp0 )]  [CRPsite( ptsIp0 )]  [CRP : cAMP : CRPsite( ptsIp0)]
(5.10)
10
[TCRPsite( ptsIp1)]  [CRPsite( ptsIp1)]  [CRP : cAMP : CRPsite( ptsIp1)]
(5.11)
11
[TMlcsite( ptsGp1)]  [ Mlcsite ( ptsGp1)]  [ Mlc : Mlcsite ( ptsGp1)]
(5.12)
12
[TMlcsite( ptsGp2)]  [ Mlcsite( ptsGp2 )]  [ Mlc : Mlcsite ( ptsGp2)]
(5.13)
13
[TMlcsite( ptsHp0 )]  [ Mlcsite( ptsHp0 )]  [ Mlc : Mlcsite ( ptsHp0 )]
(5.14)
14
[TMlcsite( ptsIp0 )]  [ Mlcsite( ptsIp0 )]  [ Mlc : Mlcsite ( ptsIp0 )]
(5.15)
15
[CRP : cAMP : CRPsite( genome)]  Kb[13]  [CRP : cAMP ]  [CRPsite( genome)]
(5.16)
16
[CRP : cAMP : CRPsite( ptsGp1)]  Kb[5]  [CRP : cAMP ]  [CRPsite( ptsGp1)]
(5.17)
17
[CRP : cAMP : CRPsite ( ptsGp2 )]  Kb[6]  [CRP : cAMP ]  [CRPsite ( ptsGp2)]
(5.18)
18
[CRP : cAMP : CRPsite( ptsHp0 )]  Kb[7]  [CRP : cAMP]  [CRPsite( ptsHp0)]
(5.19)
19
[CRP : cAMP : CRPsite( ptsHp1)]  Kb[8]  [CRP : cAMP ]  [CRPsite( ptsHp1)]
(5.20)
20
[CRP : cAMP : CRPsite ( ptsIp0 )]  Kb[9]  [CRP : cAMP ]  [CRPsite ( ptsIp0)]
(5.21)
21
[CRP : cAMP : CRPsite( ptsIp1)]  Kb[10]  [CRP : cAMP ]  [CRPsite( ptsIp1)]
(5.22)
22
[ Mlc : Mlcsite( ptsGp1)]  Kb[14]  [ Mlc ]  [ Mlcsite ( ptsGp1)]
(5.23)
23
[ Mlc : Mlcsite( ptsGp2)]  Kb[15]  [ Mlc ]  [ Mlcsite( ptsGp2)]
(5.24)
1
[ Mlc : Mlcsite( ptsHp0 )]  Kb[16]  [ Mlc ]  [ Mlcsite( ptsHp0)]
(5.25)
2
[ Mlc : Mlcsite( ptsIp0)]  Kb[17]  [ Mlc]  [ Mlcsite( ptsIp0)]
(5.26)
3
4