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Molecule List for Accession CaMKII_noPKA_model3 (Accession Number62)

Default ordering is done according to Pathway Number. Table headers can be used for changing the default ordering.

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The entries are grouped according to Pathway Number and are alternately color coded using

and

color.

	Name	Pathway Name / Pathway No.	Accession Type	Initial Conc. (uM)	Volume (fL)	Buffered	Sum Total Of
21	CaMKII-CaM	CaMKII Pathway No. 258	Network	0	0.09	No	-
22	CaMKII-CaM-PSD	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.01	No	-
23	CaMKII-PSD	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.01	No	-
24	CaMKII-thr286	CaMKII Pathway No. 258	Network	0	0.09	No	-
	I am not sure if we need to endow this one with a lot of enzs. It is likely to be a short-lived intermediate, since it will be phosphorylated further as soon as the CAM falls off.
25	CaMKII-thr286*-C aM	CaMKII Pathway No. 258	Network	0	0.09	No	-
	From Hanson and Schulman, the thr286 is responsible for autonomous activation of CaMKII.
26	CaMKII-thr286-Ca M-PSD	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.01	No	-
27	CaMKII-thr286-PS D	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.01	No	-
28	CaMKII-thr305-PS D	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.01	No	-
29	CaM_Ca_n-CaNAB	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.09	No	-
30	CaNAB	PP2B Pathway No. 261	Network	1	0.09	No	-
	We assume that the A and B subunits of PP2B are always bound under physiol conditions. Up to 1% of brain protein = 25 uM. I need to work out how it is distributed between cytosolic and particulate fractions. Tallant and Cheung '83 Biochem 22 3630-3635 have conc in many species, average for mammalian brain is around 1 uM.
31	CaNAB-Ca2	PP2B Pathway No. 261	Network	0	0.09	No	-
32	CaNAB-Ca4	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0	0.09	No	-
33	Ca_control_cyt	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0.08	0.09	Yes	-
34	Ca_control_PSD	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0.08	0.01	Yes	-
35	I1	PP1 Pathway No. 260	Network	1.8	0.09	No	-
	I1 is a 'mixed' inhibitor, but at high enz concs it looks like a non-compet inhibitor (Foulkes et al Eur J Biochem 132 309-313 9183). We treat it as non-compet, so it just turns the enz off without interacting with the binding site. Cohen et al ann rev bioch refer to results where conc is 1.5 to 1.8 uM. In order to get complete inhib of PP1, which is at 1.8 uM, we need >= 1.8 uM.
36	I1	PP1_PSD Pathway No. 262	Network	4	0.01	No	-
	I1 is a 'mixed' inhibitor, but at high enz concs it looks like a non-compet inhibitor (Foulkes et al Eur J Biochem 132 309-313 9183). We treat it as non-compet, so it just turns the enz off without interacting with the binding site. Cohen et al ann rev bioch refer to results where conc is 1.5 to 1.8 uM. In order to get complete inhib of PP1, which is at 1.8 uM, we need >= 1.8 uM.
37	I1*	PP1 Pathway No. 260	Network	0	0.09	No	-
	Dephosph is mainly by PP2B
38	I1*	PP1_PSD Pathway No. 262	Network	0	0.01	No	-
	Dephosph is mainly by PP2B
39	NMDAR	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	120	0.01	No	-
	The stochiometry is a bit off here. Each NMDAR actually binds to a holoenzyme, about 12 CaMKII subunits. But our CaMKII calculations are in terms of individual subunits. So as a hack, we put in much more NMDAR than is actually there.
40	PKA-active	Shared_Object_ CaMKII_noPKA_ model3 Pathway No. 257	Network	0.0185	0.09	No	-

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