Kinetic equations for the phosphorylation-dephosphorylation ... - PLOS

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Text S2. Module 2: Kinetic equations for the phosphorylation-dephosphorylation reactions of the HSF1 trimer-HSE complex (HH). We consider the stepwise dual ...
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Text S2 Module 2: Kinetic equations for the phosphorylation-dephosphorylation reactions of the HSF1 trimer-HSE complex (HH) We consider the stepwise dual phosphorylation-dephosphorylation reactions of the complex HH as module 2. The kinetic equations of the phosphorylation-dephosphorylation reactions of the complex HH by the kinase and phosphatase are given as follows: HH + M K3 HHM K3 HHp + M K3 HHpM K3

k

6 ←−→

HHM K3

(1)

k

HHp + M K3

(2)

k8

HHpM K3

(3)

HHpp + M K3

(4)

k−6 7 −→

←−→ k−8 k

9 −→

k10

HHpp + M K3 ←−−→ HHppM K3

(5)

k

(6)

k−10

HHppM K3

−−11 →

HHppp + M K3

k12

HHppp + M K3 ←−−→ HHpppM K3

(7)

k

(8)

k−12

HHpppM K3

−−13 →

HHpppp + M K3

k14

HHpppp + P P 5 ←−−→ HHppppP P 5 k−14

HHppppP P 5

k

−−15 →

HHpppP P 5

k16

HHpppP P 5 ←−−→ HHppp + P P 5 k−16 k

17 HHppp + P P 5 ←−− → HHpppP P 5S

k−17

HHpppP P 5S

k

−−18 →

HHppP P 5

k19

HHppP P 5 ←−−→ HHpp + P P 5 k−19 k

HHpp + P P 5

20 ←−→

HHppP P 5S

−−21 →

k20 k

k

k−23

HHP P 5

HHP P 5 ←−−→ HH + P P 5 k−25

(13) (14)

(16)

23 HHp + P P 5 ←−− → HHpP P 5S

k25

(12)

HHpP P 5

k−22

k

(11)

(15)

HHpP P 5 ←−−→ HHp + P P 5

−−24 →

(10)

HHppP P 5S

k22

HHpP P 5S

(9)

(17) (18) (19) (20)

2 R6 = k6 [HH][M K3] − k−6 [HHM K3]

(21)

R7 = k7 [HHM K3] R8 = k8 [HHp][M K3] − k−8 [HHpM K3]

(22) (23)

R9 = k9 [HHpM K3] R10 = k10 [HHpp][M K3] − k−10 [HHppM K3]

(24) (25)

R11 = k11 [HHppM K3] R12 = k12 [HHppp][M K3] − k−12 [HHpppM K3]

(26) (27)

R13 = k13 [HHpppM K3] R14 = k14 [HHpppp][P P 5] − k−14 [HHppppP P 5]

(28) (29)

R15 = k15 [HHppppP P 5]

(30)

R16 = k16 [HHpppP P 5] − k−16 [HHppp][P P 5] R17 = k17 [HHppp][P P 5] − k−17 [HHpppP P 5S]

(31) (32)

R18 = k18 [HHpppP P 5S] R19 = k19 [HHppP P 5] − k−19 [HHpp][P P 5]

(33) (34)

R20 = k23 [HHp][P P 5] − h−23 [HHpP P 5S] R21 = k24 [HHpP P 5S]

(35) (36)

R22 = k11 [HHP P 5] − h66 [P P 5][HH] R23 = k20 [HHpp][P P 5] − k−20 [HHppP P 5S]

(37) (38)

R24 = k21 [HHppP P 5S] R25 = k22 [HHpP P 5] − k−22 [HHp][P P 5]

(39) (40)

In the above equations, HH is the HSF13S:HSE complex; HHp ,HHpp ,HHppp ,and HHpppp are the mono, di, tri, and tetra-phosphorylated complex; MK3 is the kinase; PP5 is a phosphatase, a co-chaperone; PP5S is the activated phosphatase formed during the dephosphorylation; and the rest of the dynamical variables are the complexes of MK3 or PP5A. The kinetic equation for the production of mRNA90 from tetra phosphorylated HHpppp is given as follows: k

HHpppp −−26 → mRN A90 + HH + 4P i

(41)

The corresponding rate equation is: R26 =

k26 [HHpppp ]

(42)

3

Rate equations for the phosphorylation-dephosphorylation reactions of trimer HSF1-HSE complex, (HH) d[HH] dt d[HHp] dt d[HHpp] dt d[HHppp] dt d[HHpppp] dt d[HHM K3] dt d[HHpM K3] dt d[HHppM K3] dt d[HHpppM K3] dt d[HHppppP P 5] dt d[HHpppP P 5] dt d[HHpppP P 5S] dt d[HHppP P 5] dt d[HHppP P 5S] dt d[HHpP P 5] dt d[HHpP P 5S] dt d[HHP P 5] dt

=

R5 − R6 + R26

(43)

=

R7 − R8 + R21 − R20

(44)

=

R9 − R10 − R23 + R19

(45)

=

R11 − R12 − R17 + R16

(46)

=

R13 − R14 − R26

(47)

=

R6 − R7

(48)

=

R8 − R9

(49)

=

R10 − R11

(50)

=

R12 − R13

(51)

=

R14 − R15

(52)

=

R15 − R16

(53)

=

R17 − R18

(54)

=

R18 − R19

(55)

=

R23 − R24

(56)

=

R24 − R25

(57)

=

R20 − R21

(58)

=

R21 − R22

(59)