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Molecule List for pathway SERCA (Pathway Number 187)

 Name Initial Conc. (uM) Volume (fL) Buffered
1ADP00.0016667No
    ADP obtained as a result of phosporylation of SERCA2a with ATP.
2Ca0.2680.0016667Yes
    For simulation of EP formation and Pi liberation time couse at various [ca2+] the concentrations were obtained from the literature source Mahaney et al. Biophysical Journal 78(3) 1306-1323 ******************************************************************** In case of EP decomposition after phosphorylation with 1uM ATP for 30s at 0 deg centigrade. At 30s 5mM EGTA (final conc) was added to the reaction mixture to remove all traces of ionized Ca2+ form the reaction mixture and thus to reduced the ionized [Ca2+]. Actual concentration of left over calcium was calculated using EGTA - Free Calcium concentration calculator - a web based program by entering the experimental constants furnished in the literature source Mahaney et al Biophysical Journal 78(3) 1306-1323. Calculator program can be found at:- http://www.stanford.edu/~cpatton/webmaxclitel15.htm ************************************************************
3Ca2E1_prime00.0016667No
    2 Ca bond state of the Enzyme SERCA2a.
4CaE100.0016667No
    1 Ca bond state of SERCA2a
5CaE1_prime00.0016667No
    Intermediate form which is result of conformational changes in the enzymes which makes it to bind to 2nd Ca in the next step
6CaE1_prime_ATP00.0016667No
    Phosporylated form of the Ca-SERCA2a.
7E100.0016667No
    Intermediate from of Ca-ATPase (SERCA2a) which is ready to bind to first Ca.
8E20.15090.0016667No
    Concentration was calculatd from the literature source Mahaney et al. ( 2000 Mar) Biophys J. 78(3) 1306-23.
In case of EP formation and Pi liberation E2 is set to calculated concentration (0.1509uM), in case EP decompostion E2 is set to 0uM.
Calculations of initial SERCA2a concentration:
Data given: 8.3% of the total protein is SERCA2a. 0.2mg of SF21 microsome was taken. Molecular wt of SERCA2a is 110,000 Da. Thus E2 conc in moles is (8.3 * 0.2 * 1e-6 ) / 11 = 0.1509uM.
9EP00.0016667No
    Formation and decomposition of phosphoenzyme is monitured on a time course under 3 condition.
1. SERCA2a alone.
2. SERCA2a + Wild type phospholamban.
3. SERCA2a + L37A phospholamban.
10EPi00.0016667No
    Phosphoenzyme decompostion intermeditate state.
11MgATP10.0016667No
    Conc of ATP was taken from the literature source Mahaney et al. ( 2000 Mar) Biophys J. 78(3) 1306-23.
12pi00.0016667No
    Phosphate liberated due to EP decompostion and is propostion to EP steady state level.

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