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Molecule Parameter List for CaM-Ca4

The statistics table lists the distribution of a molecule acting either as a substrate, product, enzyme or as a molecule within the network. The text color of a molecule is highlighted by color.

Statistics

CaM-Ca4 participated as	Molecule	Sum total of	Enzyme	Substrate of an enzyme	Product of an enzyme	Substrate in Reaction	Product in Reaction
No. of occurrences	1	0	0	0	0	6	1

Accession and Pathway Details

Accession Name	Accession No.	Accession Type	Pathway Link
Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning	77	Network	Shared_Object_Ajay_Bhalla_2004_PKM_MKP3_Tuning,  PKC,  PLA2,   PLCbeta,  Ras,  Gq,   MAPK,  EGFR,  Sos,   PLC_g,  CaMKII,  CaM,   PP1,  PP2B,  PKA,   AC,  MKP3,  PKM
This model is based on Ajay SM, Bhalla US. Eur J Neurosci. 2004 Nov;20(10):2671-80. This is the feedforward model with MPK3 from figure 8a.

CaM-Ca4 acting as a Molecule in  Ajay_Bhalla_2004_PKM_MKP3_Tuning Network

Name	Accession Name	Pathway Name	Initial Conc. (uM)	Volume (fL)	Buffered
CaM-Ca4	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	Shared_Object_ Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Pathway No. : 329	0	1.5	No

CaM-Ca4 acting as a Substrate in a reaction in  Ajay_Bhalla_2004_PKM_MKP3_Tuning Network

Kd is calculated only for second order reactions, like nA+nB <->nC or nA<->nC+nD, where n is number and A,B,C,D are molecules, where as for first order reactions Keq is calculated. Kd for higher order reaction are not consider.

	Name	Accession Name	Pathway Name	Kf	Kb	Kd	tau	Reagents
1	CaM-bind-GEF	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	Ras Pathway No. : 333	199.998 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 0.005(uM)	-	Substrate CaM-Ca4 inact-GEF Product CaM-GEF
	We have no numbers for this. It is probably between the two extremes represented by the CaMKII phosph states, and I have used guesses based on this. kf=1e-4 kb=1 The reaction is based on Farnsworth et al Nature 376 524-527 1995 2 Aug 2004 Raised Kf from 60 to 200 to achieve higher MAPK activation following Ca stimulus for PKM models. 3 Aug 2004. Lowered Kf to 100.
2	CaMKII-bind-CaM	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	CaMKII Pathway No. : 339	49.9995 (uM^-1 s^-1)	5 (s^-1)	Kd(bf) = 0.1(uM)	-	Substrate CaM-Ca4 CaMKII Product CaMKII-CaM
	This is tricky. There is some cooperativity here arising from interactions between the subunits of the CAMKII holoenzyme. However, the stoichiometry is 1. Kb/Kf = 6e4 #/cell. Rate is fast (see Hanson et al Neuron 12 943-956 1994) so lets say kb = 10. This gives kf = 1.6667e-4 H&S AnnRev Biochem 92 give tau for dissoc as 0.2 sec at low Ca, 0.4 at high. Low Ca = 100 nM = physiol.
3	CaMK-thr286-bind -CaM	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	CaMKII Pathway No. : 339	1000.17 (uM^-1 s^-1)	0.1 (s^-1)	Kd(bf) = 0.0001(uM)	-	Substrate CaM-Ca4 CaMKII-thr286 Product CaMKII-thr286*-C aM
	Affinity is up 1000X. Time to release is about 20 sec, so the kb is OK at 0.1 This makes Kf around 1.6666e-3
4	CaMCa4-bind-CaNA B	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	PP2B Pathway No. : 342	600.003 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 0.0017(uM)	-	Substrate CaM-Ca4 CaNAB-Ca4 Product CaMCa4-CaNAB
5	CaM-bind-AC1	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	AC Pathway No. : 344	49.9995 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 0.02(uM)	-	Substrate AC1 CaM-Ca4 Product AC1-CaM
	Half-max at 20 nM CaM (Tang et al JBC 266:13 8595-8603 1991 kb/kf = 20 nM = 12000 #/cell so kf = kb/12000 = kb * 8.333e-5
6	CaM_bind_PDE1	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	AC Pathway No. : 344	720 (uM^-1 s^-1)	5 (s^-1)	Kd(bf) = 0.0069(uM)	-	Substrate CaM-Ca4 PDE1 Product CaM.PDE1
	For olf epi PDE1, affinity is 7 nM. Assume same for brain. Reaction should be pretty fast. Assume kb = 5/sec. Then kf = 5 / (0.007 * 6e5) = 1.2e-3

CaM-Ca4 acting as a Product in a reaction in  Ajay_Bhalla_2004_PKM_MKP3_Tuning Network

Kd is calculated only for second order reactions, like nA+nB <->nC or nA<->nC+nD, where n is number and A,B,C,D are molecules, where as for first order reactions Keq is calculated. Kd for higher order reaction are not consider.

Name	Accession Name	Pathway Name	Kf	Kb	Kd	tau	Reagents
CaM-Ca3-bind-Ca	Ajay_Bhalla_ 2004_PKM_MKP3_ Tuning Accession No. : 77	CaM Pathway No. : 340	0.465 (uM^-1 s^-1)	10 (s^-1)	Kd(bf) = 21.5052(uM)	-	Substrate Ca CaM-Ca3 Product CaM-Ca4
Use K3 = 21.5 uM here from Stemmer and Klee table 3. kb/kf =21.5 * 6e5 so kf = 7.75e-7, kb = 10