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Molecule Parameter List for CaNAB-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

*CaNAB-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	1	1	0	0	3	1

Accession and Pathway Details

Accession Name	Accession No.	Accession Type	Pathway Link
fig3_CaMKII	2	Network	Shared_Object_fig3_CaMKII, CaMKII, CaM, PP1, PP2B, PKA, AC
This is the model file for figure 3 from Bhalla US and Iyengar R. Science (1999) 283(5400):381-7. It is a model of the Ca activation of CaMKII and other CaM-activated enzymes. It includes the regulatory phosphatases PP1 and PP2B (Calcineurin) acting on CaMKII and also includes CaM-activated adenylyl cyclase and PKA in the synapse. Demonstration script files for generating the figures in the paper, including figure 3, are available here.

CaNAB-Ca4 acting as a Molecule in fig3_CaMKII Network

Name	Accession Name	Pathway Name	Initial Conc. (uM)	Volume (fL)	Buffered
CaNAB-Ca4	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	0	1000	No

CaNAB-Ca4 acting as a Summed Molecule in fig3_CaMKII Network

Accession Name	Pathway Name	Target	Input
fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	tot_CaN-active	CaM(Ca)n-CaNAB CaNAB-Ca4

CaNAB-Ca4 acting as an Enzyme in fig3_CaMKII Network

Enzyme Molecule / Enzyme Activity	Accession Name	Pathway Name	Km (uM)	kcat (s^-1)	Ratio	Enzyme Type	Reagents
CaNAB-Ca4 / dephosph_ inhib1_noCaM	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	4.97076	0.034	4	explicit E-S complex	Substrate I1* Product I1

CaNAB-Ca4 acting as a Substrate in a reaction in fig3_CaMKII 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-Ca2-bind-CaN AB	fig3_CaMKII Accession No. : 2	PP2B Pathway No. : 16	0.24 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 4.1667(uM)	-	Substrate CaM-TR2-Ca2 CaNAB-Ca4 Product CaMCa2-CANAB
2	CaMCa3-bind-CaNA B	fig3_CaMKII Accession No. : 2	PP2B Pathway No. : 16	2.238 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 0.4468(uM)	-	Substrate CaM-Ca3 CaNAB-Ca4 Product CaMCa3-CaNAB
3	CaMCa4-bind-CaNA B	fig3_CaMKII Accession No. : 2	PP2B Pathway No. : 16	600 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 0.0017(uM)	-	Substrate CaM-Ca4 CaNAB-Ca4 Product CaMCa4-CaNAB

CaNAB-Ca4 acting as a Product in a reaction in fig3_CaMKII Network

Name	Accession Name	Pathway Name	Kf	Kb	Kd	tau	Reagents
Ca-bind-CaNAB-Ca 2	fig3_CaMKII Accession No. : 2	PP2B Pathway No. : 16	3.6 (uM^-2 s^-1)	1 (s^-1)	Kd(af) = 0.527(uM)	-	Substrate Ca Ca CaNAB-Ca2 Product CaNAB-Ca4

Database compilation and code copyright (C) 2022, Upinder S. Bhalla and NCBS/TIFR
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