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Molecule Parameter List for PP1-active

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

*PP1-active* 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	5	0	0	1	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.

PP1-active acting as a Molecule in fig3_CaMKII Network

Name	Accession Name	Pathway Name	Initial Conc. (uM)	Volume (fL)	Buffered
PP1-active	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	1.8	1000	No

PP1-active 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_PP1	PP1-active
tot_PP1 has inputs from Deph-thr286, PP1-active, Deph-thr305, Deph-thr286c, Deph-thr286b,Deph-thr305. except PP1-active all other inputs are enzyme-substrate complex which is not currently supported by doqcs. But can be accessed from GENESIS file.

PP1-active 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
1	PP1-active / Deph-thr286	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	5.09907	0.35	4	explicit E-S complex	Substrate CaMKII-thr286-C aM Product* CaMKII-CaM
2	PP1-active / Deph-thr305	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	5.09907	0.35	4	explicit E-S complex	Substrate CaMKII* Product** CaMKII-thr286
3	PP1-active / Deph-thr306	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	5.09907	0.35	4	explicit E-S complex	Substrate CaMK-thr306 Product CaMKII
4	PP1-active / Deph-thr286c	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	5.09907	0.35	4	explicit E-S complex	Substrate CaMKII* Product** CaMK-thr306
5	PP1-active / Deph_thr286b	fig3_CaMKII Accession No. : 2	Shared_Object_ fig3_CaMKII Pathway No. : 12	5.09907	0.35	4	explicit E-S complex	Substrate CaMKII-thr286 Product CaMKII

PP1-active 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
Inact-PP1	fig3_CaMKII Accession No. : 2	PP1 Pathway No. : 15	499.98 (uM^-1 s^-1)	0.1 (s^-1)	Kd(bf) = 0.0002(uM)	-	Substrate I1* PP1-active Product PP1-I1*

PP1-active acting as a Product in a reaction in fig3_CaMKII Network

Name	Accession Name	Pathway Name	Kf	Kb	Kd	tau	Reagents
dissoc-PP1-I1	fig3_CaMKII Accession No. : 2	PP1 Pathway No. : 15	1 (s^-1)	0 (uM^-1 s^-1)	-	-	Substrate PP1-I1 Product I1 PP1-active

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