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Molecule Parameter List for Ca

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
Ca participated asMoleculeSum total ofEnzymeSubstrate of an enzymeProduct of an enzymeSubstrate in ReactionProduct in Reaction
No. of occurrences1000051

Accession and Pathway Details
Accession NameAccession No.Accession TypePathway Link
  • AMPAR_traff_
    model0
  • 59Network
    Shared_Object_AMPAR_traff_model0 CaMKII CaM 
    PP1 PP2B PP1_PSD 
    PKA AC AMPAR 
    AMPAR_memb 
    This is model 0 from Hayer and Bhalla, PLoS Comput Biol 2005. It has a bistable model of AMPAR traffick, plus a non-bistable model of CaMKII. This differs from the reference model (model 1) in that model0 lacks degradation and turno ver reactions for AMPAR.

    Ca acting as a Molecule in  
    AMPAR_traff_model0 Network
    NameAccession NamePathway NameInitial Conc.
    (uM)
    Volume
    (fL)
    Buffered
    Ca
  • AMPAR_traff_
    model0

    Accession No. : 59
  • Shared_Object_
    AMPAR_traff_
    model0

    Pathway No. : 234
  • 0.080.09No

    Ca acting as a Substrate in a reaction in  
    AMPAR_traff_model0 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.
     NameAccession NamePathway NameKfKbKdtauReagents
    1CaM-TR2-bind-Ca
  • AMPAR_traff_
    model0

    Accession No. : 59
  • CaM
    Pathway No. : 236
    71.999
    (uM^-2 s^-1)
    72
    (s^-1)
    Kd(af) = 1(uM)-Substrate
    Ca
    Ca
    CaM

    Product
    CaM-TR2-Ca2
      Lets use the fast rate consts here. Since the rates are so different, I am not sure whether the order is relevant. These correspond to the TR2C fragment. We use the Martin et al rates here, plus the Drabicowski binding consts. All are scaled by 3X to cell temp. kf = 2e-10 kb = 72 Stemmer & Klee: K1=.9, K2=1.1. Assume 1.0uM for both. kb/kf=3.6e11. If kb=72, kf = 2e-10 (Exactly the same !)....
    2
  • CaM-TR2-Ca2-bind
    -Ca
  • AMPAR_traff_
    model0

    Accession No. : 59
  • CaM
    Pathway No. : 236
    3.6
    (uM^-1 s^-1)
    10
    (s^-1)
    Kd(bf) = 2.7778(uM)-Substrate
    Ca
    CaM-TR2-Ca2

    Product
    CaM-Ca3
      K3 = 21.5, K4 = 2.8. Assuming that the K4 step happens first, we get kb/kf = 2.8 uM = 1.68e6 so kf =6e-6 assuming kb = 10
    3CaM-Ca3-bind-Ca
  • AMPAR_traff_
    model0

    Accession No. : 59
  • CaM
    Pathway No. : 236
    0.465
    (uM^-1 s^-1)
    10
    (s^-1)
    Kd(bf) = 21.5054(uM)-Substrate
    Ca
    CaM-Ca3

    Product
    CaM-Ca4
      Use K3 = 21.5 uM here from Stemmer and Klee table 3. kb/kf =21.5 * 6e5 so kf = 7.75e-7, kb = 10
    4
  • Ca-bind-CaNAB-Ca
    2
  • AMPAR_traff_
    model0

    Accession No. : 59
  • PP2B
    Pathway No. : 238
    3.6001
    (uM^-2 s^-1)
    1
    (s^-1)
    Kd(af) = 0.527(uM)-Substrate
    Ca
    Ca
    CaNAB-Ca2

    Product
    CaNAB-Ca4
      This process is probably much more complicated and involves CaM. However, as I can't find detailed info I am bundling this into a single step. Based on Steemer and Klee pg 6863, the Kact is 0.5 uM. kf/kb = 1/(0.5 * 6e5)^2 = 1.11e-11
    5Ca-bind-CaNAB
  • AMPAR_traff_
    model0

    Accession No. : 59
  • PP2B
    Pathway No. : 238
    10008
    (uM^-2 s^-1)
    1
    (s^-1)
    Kd(af) = 0.01(uM)-Substrate
    Ca
    Ca
    CaNAB

    Product
    CaNAB-Ca2
      going on the experience with CaM, we put the fast (high affinity) sites first. We only know (Stemmer and Klee) that the affinity is < 70 nM. Assuming 10 nM at first, we get kf = 2.78e-8, kb = 1. Try 20 nM. kf = 7e-9, kb = 1 

    Ca acting as a Product in a reaction in  
    AMPAR_traff_model0 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.
    NameAccession NamePathway NameKfKbKdtauReagents
    Ca_stoch_cyt
  • AMPAR_traff_
    model0

    Accession No. : 59
  • Shared_Object_
    AMPAR_traff_
    model0

    Pathway No. : 234
  • 100
    (s^-1)
    100
    (s^-1)
    Keq = 1(uM)0.005secSubstrate
    Ca_control_cyt

    Product
    Ca



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