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Molecule Parameter List for IP3(145)

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

*IP3(145)* 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	0	5	5	3	3

Accession and Pathway Details

Accession Name	Accession No.	Accession Type	Pathway Link
Osc_Ca_ IP3metabolism	32	Network	MIPP, CaMKII, CaM, PKC, IP3-3K, Gq, PLCbeta, 134_dephos, 145_dephos, IP4-system, IHP-system, 1345_dephos, CaRegulation, Othmer-Tang-model
This network models an oscillatory calcium response to GPCR mediated PLCbeta activation, alongwith detailed InsP3 metabolism in the neuron. It is similar to the Osc_Ca_IP3metab model (accession 24) except that some enzymes in the InsP3 metabolism network have been modified to have reversible kinetics rather than Michaelis-Menten kinetics. The modified enzymes belong to the groups: IP4-system, IP3-3K, 145_dephos and 134_dephos. Mishra J, Bhalla US. Biophys J. 2002 Sep;83(3):1298-316.

IP3(145) acting as a Molecule in Osc_Ca_IP3metabolism Network

Name	Accession Name	Pathway Name	Initial Conc. (uM)	Volume (fL)	Buffered
IP3(145)	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	0.2	1000	No
Inositol (145)trisphosphate

IP3(145) acting as a Summed Molecule in Osc_Ca_IP3metabolism Network

Accession Name	Pathway Name	Target	Input
Osc_Ca_ IP3metabolism Accession No. : 32	Othmer-Tang-mode l Pathway No. : 171	IP3	IP3(145)
Inositol(145)trisphosphate in the cytoplasm. Levels are determined by the IP3-metabolism network

IP3(145) acting as a Substrate for an Enzyme in Osc_Ca_IP3metabolism Network

	Enzyme Molecule / Enzyme Activity	Accession Name	Pathway Name	Km (uM)	kcat (s^-1)	Ratio	Enzyme Type	Reagents
1	IP3_3K / ip3-3k	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	1.40001	3.0475	4	explicit E-S complex	Substrate IP3(145) Product IP4(1345)
	from Johanson et al, JBC 263; 1988 Original Vmax scaled up by 50% to obtain value at 37C, as enzyme assay was done at 30C Km increased from 0.2 to 1.4 as per various other reports (Shears Review, BiochemJ 260; 1989)
2	IP3_3K1 / ip3-3k1	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	1.40004	0.76187	4.00003	explicit E-S complex	Substrate IP3(145) Product IP4(1345)
	from Sim et al, JBC 265; 1990
3	IP3_3K* / ip3-3k*	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	1.40001	3.0475	4	explicit E-S complex	Substrate IP3(145) Product IP4(1345)
	from Communi et al, EMBO J 16; 1997 In absence of CaM binding, activity same as that of non-phosphorylated enzyme
4	IP3_5pase2 / ip3_5pase2	Osc_Ca_ IP3metabolism Accession No. : 32	145_dephos Pathway No. : 166	18.0004	10.667	3.99991	explicit E-S complex	Substrate IP3(145) Product IP2(14)
	from Hansen et al, JBC 262, 1987 activity determined from pH curve. Value scaled 1.5 times to obtain activity at 37C as original experiment was performed at 30C
5	IP_5pase1 / ip3_5pase1	Osc_Ca_ IP3metabolism Accession No. : 32	145_dephos Pathway No. : 166	3.00001	1.1	4	explicit E-S complex	Substrate IP3(145) Product IP2(14)
	Ins(145)P3 5-phosphatase activity of InsP-5-phosphatase from Hansen et al, JBC 262; 1987

IP3(145) acting as a Product of an Enzyme in Osc_Ca_IP3metabolism Network

	Enzyme Molecule / Enzyme Activity	Accession Name	Pathway Name	Km (uM)	kcat (s^-1)	Ratio	Enzyme Type	Reagents
1	PLC-Gq / PLC-Gq	Osc_Ca_ IP3metabolism Accession No. : 32	PLCbeta Pathway No. : 164	5	75	4	explicit E-S complex	Substrate PIP2 Product DAG IP3(145)
	from Smrcka et al, 1991 Science 251: 804-807
2	PLC-Ca / PLC-Ca	Osc_Ca_ IP3metabolism Accession No. : 32	PLCbeta Pathway No. : 164	19.8408	10	4	explicit E-S complex	Substrate PIP2 Product DAG IP3(145)
	From Sternweis et al Phil Trans R Soc Lond 1992, also matched by Homma et al. k1 = 1.5e-5, now 4.2e-6 k2 = 70/sec; now 40/sec k3 = 17.5/sec; now 10/sec Note that the wording in Sternweis et al is ambiguous re the Km. Also Smrcka et al; Science 251, 15.2.1991, pp804-807
3	PLC-Ca-Gq / PLCb-Ca-Gq	Osc_Ca_ IP3metabolism Accession No. : 32	PLCbeta Pathway No. : 164	4.99994	160	4	explicit E-S complex	Substrate PIP2 Product DAG IP3(145)
	Km: Sternweis et al, Phil Trans R Soc Lond 1992 Vmax: Smrcka et al, Science 1991
4	PLC / PLC	Osc_Ca_ IP3metabolism Accession No. : 32	PLCbeta Pathway No. : 164	19.9994	2.5	4	explicit E-S complex	Substrate PIP2 Product DAG IP3(145)
	Smrcka et al; Science 251, 15.2.1991, pp804-807
5	1345_3pase / ip4_3pase	Osc_Ca_ IP3metabolism Accession No. : 32	1345_dephos Pathway No. : 169	0.400007	0.0012	4	explicit E-S complex	Substrate IP4(1345) Product IP3(145)
	Ins(1345)P4 3-phosphatase from Nogimori et al, JBC 266; 1991

IP3(145) acting as a Substrate in a reaction in Osc_Ca_IP3metabolism 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	3k-CaM*-on	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	80.358 (uM^-1 s^-1)	180 (s^-1)	Kd(bf) = 2.24(uM)	-	Substrate IP3(145) IP3_3K_CaM* Product 3kCaM*_ip3_ cmplx
	Rates from Km of enzyme Communi et al, EMBO J 16(8)
2	3k-CaM-on	Osc_Ca_ IP3metabolism Accession No. : 32	IP3-3K Pathway No. : 162	18.7497 (uM^-1 s^-1)	42.001 (s^-1)	Kd(bf) = 2.2401(uM)	-	Substrate IP3(145) IP3_3K_CaM Product 3kCaM_ip3_cmplx
	rates from Km for enzyme: Erneux et al, Biochem 214; 1993 Enzyme is 2-2.5 fold more active than ip3-3k, but Km is doubled.
3	145-inhib-3pase	Osc_Ca_ IP3metabolism Accession No. : 32	1345_dephos Pathway No. : 169	1 (uM^-1 s^-1)	1.75 (s^-1)	Kd(bf) = 1.75(uM)	-	Substrate 1345_3pase IP3(145) Product IP3(145)-3pase-c mplx
	from Hoer et al, Biochem J 270; 1990

IP3(145) acting as a Product in a reaction in Osc_Ca_IP3metabolism Network

	Name	Accession Name	Pathway Name	Kf	Kb	Kd	tau	Reagents
1	ip3(145)_trp	Osc_Ca_ IP3metabolism Accession No. : 32	MIPP Pathway No. : 158	1 (s^-1)	0.001 (s^-1)	Not applicable**	-	Substrate IP3(145)_ER Product IP3(145)
	Ins(145)P3 ER-cytosol transport
2	basal	Osc_Ca_ IP3metabolism Accession No. : 32	PLCbeta Pathway No. : 164	0.003 (s^-1)	0 (uM^-1 s^-1)	-	-	Substrate PIP2 Product DAG IP3(145)
	accounts for other PLC isoforms that contribute to basal levels of IP3
3	ip4-6pase	Osc_Ca_ IP3metabolism Accession No. : 32	IP4-system Pathway No. : 167	0.013 (s^-1)	0 (s^-1)	-	-	Substrate IP4(1456) Product IP3(145)
	this step is essential to maintain flux around the network, rate adjusted accordingly

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