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Molecule Parameter List for Rec-Gq

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

Rec-Gq 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	2	1

Accession and Pathway Details

Accession Name	Accession No.	Accession Type	Pathway Link
NonOsc_Ca_ IP3metabolism	23	Network	MIPP,  CaMKII,  CaM,   PKC,  IP3-3K,  CaRegulation,   Gq,  PLCbeta,  134_dephos,   145_dephos,  IP4-system,  IHP-system,   1345_dephos
This network models detailed metabolism of Ins(145)P3, integrated with GPCR mediated PLCbeta activation and Ca release by the InsP3 receptor in the neuron. The calcium response is non-oscillatory. Mishra J, Bhalla US. Biophys J. 2002 Sep;83(3):1298-316.

Rec-Gq acting as a Molecule in  NonOsc_Ca_IP3metabolism Network

Name	Accession Name	Pathway Name	Initial Conc. (uM)	Volume (fL)	Buffered
Rec-Gq	NonOsc_Ca_ IP3metabolism Accession No. : 23	Gq Pathway No. : 111	0	1000	No
Turns out that a large fraction of the the receptor binds to the G-protein even in the absence of ligand. This pool represents this step. Fraction of Rec-Gq is 44% of receptor, from Fay et al 1991 Biochem 30:5066-5075 Since this is not the same receptor, this value is a bit doubtful. Still, we adjust the rate consts in Rec-bind-Gq to match.

Rec-Gq acting as a Substrate in a reaction in  NonOsc_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	Glu-bind-Rec-Gq	NonOsc_Ca_ IP3metabolism Accession No. : 23	Gq Pathway No. : 111	16.8 (uM^-1 s^-1)	0.1 (s^-1)	Kd(bf) = 0.006(uM)	-	Substrate Glu Rec-Gq Product Rec-Glu-Gq
	From Fay et al kb3 = kb = 1.06e-3 which is rather slow. k+1 = kf = 2.8e7 /M/sec= 4.67e-5/sec use 5e-5. However, the Kd from Martin et al may be more appropriate, as this is Glu not the system from Fay. kf = 2.8e-5, kb = 10 Let us compromise. since we have the Fay model, keep kf = k+1 = 2.8e-5. But kb (k-3) is .01 * k-1 from Fay. Scaling by .01, kb = .01 * 10 = 0.1
2	Antag-bind-Rec-G q	NonOsc_Ca_ IP3metabolism Accession No. : 23	Gq Pathway No. : 111	60 (uM^-1 s^-1)	0.01 (s^-1)	Kd(bf) = 0.0002(uM)	-	Substrate Rec-Gq mGluRAntag Product Blocked-rec-Gq
	The rate consts give a total binding affinity of under 0.2 nM, good for a strong antagonist.

Rec-Gq acting as a Product in a reaction in  NonOsc_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
Rec-bind-Gq	NonOsc_Ca_ IP3metabolism Accession No. : 23	Gq Pathway No. : 111	0.6 (uM^-1 s^-1)	1 (s^-1)	Kd(bf) = 1.6667(uM)	-	Substrate G-GDP mGluR Product Rec-Gq
From Berstein et al 1992 JBC 267(12):8081-8088 we know that 15-40% of Gq binds, GTP_gamma_S. Also about 20-30% of Gq is bound to GTP. To get to these values the receptor-Gq amount should be similar. These rates are designed to give that steady state with a fast tau of 1 sec.