Rendering of the source text

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<!--
This CellML file was generated on 4/05/2010 at 10:48:51 at a.m. using:

COR (0.9.31.1371)
Copyright 2002-2010 Dr Alan Garny
http://cor.physiol.ox.ac.uk/ - cor@physiol.ox.ac.uk

CellML 1.0 was used to generate this model
http://www.cellml.org/
-->
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		<article>
			<articleinfo>
				<title>An integrated study of Threonine-pathway enzyme kinetics in Escherichia coli</title>
				<author>
					<firstname>Catherine</firstname>
					<surname>Lloyd</surname>
					<affiliation>
						<shortaffil>Auckland Bioengineering Institute, The University of Auckland</shortaffil>
					</affiliation>
				</author>
			</articleinfo>
			<section id="sec_status">
				<title>Model Status</title>
				<para>
This model runs in COR and OpenCell and the units are consistent throughout. It is unknown whether it can recreate the published results, as there are no figures containing output of the complete model to compare it to. It is expected that if validation was carried out the model would be unable to recreate the published results, as some equations were missing from the paper and extrapolated from the reaction scheme.
</para>
			</section>
			<sect1 id="sec_structure">
				<title>Model Structure</title>
				<para>
ABSTRACT: We have determined the kinetic parameters of the individual steps of the threonine pathway from aspartate in Escherichia coli under a single set of experimental conditions chosen to be physiologically relevant. Our aim was to summarize the kinetic behaviour of each enzyme in a single tractable equation that takes into account the effect of the products as competitive inhibitors of the substrates in the forward reaction and also, when appropriate (e.g. near-equilibrium reactions), as substrates of the reverse reactions. Co-operative feedback inhibition by threonine and lysine was also included as necessary. We derived the simplest rate equations that describe the salient features of the enzymes in the physiological range of metabolite concentrations in order to incorporate them ultimately into a complete model of the threonine pathway, able to predict quantitatively the behaviour of the pathway under natural or engineered conditions.
</para>
				<para>
The original paper reference is cited below:
</para>
				<para>
An integrated study of threonine-pathway enzyme kinetics in <emphasis>Escherichia coli</emphasis>
          , Christophe Chassagnole, Badr Rais, Eric Quentin, David A. Fell and Jean-Pierre Mazat, 2001, 
            <emphasis>Biochemical Journal</emphasis>
          , 356, 415-423. <ulink url="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&amp;db=PubMed&amp;list_uids=11368768&amp;dopt=Abstract">PubMed ID: 11368768</ulink>
				</para>
				
				<informalfigure float="0" id="fig_reaction_diagram">
					<mediaobject>
						<imageobject>
							<objectinfo>
								<title>schematic diagram</title>
							</objectinfo>
							<imagedata fileref="chassagnole_2001.png"/>
						</imageobject>
					</mediaobject>
					<caption>Threonine-synthesis pathway from aspartate in <emphasis>E. coli</emphasis>.  The different steps are catalysed by aspartate kinases I and III (AK I and AK III), aspartate semialdehyde dehydrogenase (ASD), homoserine dehydrogenase (HDH), homoserine kinase (HK) and threonine synthase (TS).  The abbreviations used are: asp, aspartate; aspp, beta-aspartyl phosphate; ASA, aspartic beta-semialdehyde; hs, homoserine; hsp, O-phospho-homoserine; thr, threonine and lys, lysine.  Solid black lines represent the individual reaction steps of the pathway and the dashed red lines represent reaction inhibition by threonine and lysine.</caption>
				</informalfigure>
			</sect1>
		</article>
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			<dcterms:alternative>homoserine</dcterms:alternative>
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			<rdf:value>updated curation status, removed reference link from documentation.</rdf:value>
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			<rdf:value>Added Vmax values from a third publication in a paper series provided by the author of the original publication.

The model now runs in PCEnv, but it still gives a flat output.</rdf:value>
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			<vCard:Given>James</vCard:Given>
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			<vCard:Other>Richard</vCard:Other>
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			<vCard:Orgname>The University of Auckland</vCard:Orgname>
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			<rdf:value>This is the CellML description of Chassagnole et al's 2001 model of 
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			<dc:title>An integrated study of Threonine-pathway enzyme kinetics in Escherichia coli</dc:title>
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      <variable name="vHK" units="flux" public_interface="in"/>
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                  <ci>time</ci>
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      <variable name="vTS" units="flux" public_interface="in"/>
      <variable name="time" units="minute" public_interface="in"/>
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                  <ci>time</ci>
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      <variable name="vAKI" units="flux" public_interface="in"/>
      <variable name="vAKIII" units="flux" public_interface="in"/>
      <variable name="vHK" units="flux" public_interface="in"/>
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                  <ci>time</ci>
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               <minus/>
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                  <ci>vAKIII</ci>
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      <variable name="vAKI" units="flux" public_interface="in"/>
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                  <ci>time</ci>
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      <variable name="vHDH" units="flux" public_interface="in"/>
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                  <ci>time</ci>
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   <component xmlns="http://www.cellml.org/cellml/1.0#" name="Pi">
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      <variable name="vTS" units="flux" public_interface="in"/>
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                  <ci>time</ci>
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            <apply>
               <plus/>
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   <component xmlns="http://www.cellml.org/cellml/1.0#" name="Lys">
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      <variable name="time" units="minute" public_interface="in"/>
      <math xmlns="http://www.w3.org/1998/Math/MathML">
         <apply>
            <eq/>
            <apply>
               <diff/>
               <bvar>
                  <ci>time</ci>
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               <ci>Lys</ci>
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      <variable name="Asp" units="millimolar" public_interface="in"/>
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               <divide/>
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                  <ci>V_max_AK_I</ci>
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                     <minus/>
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                        <times/>
                        <ci>Asp</ci>
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                        <divide/>
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                        <divide/>
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                           <ci>K_asp</ci>
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                              <plus/>
                              <cn cellml:units="dimensionless">1</cn>
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                                 <power/>
                                 <apply>
                                    <divide/>
                                    <ci>Thr</ci>
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                                 <ci>h_Thr</ci>
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                           <plus/>
                           <cn cellml:units="dimensionless">1</cn>
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                              <power/>
                              <apply>
                                 <divide/>
                                 <ci>Thr</ci>
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                                    <times/>
                                    <ci>K_iThr</ci>
                                    <ci>alpha</ci>
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                        <divide/>
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                           <times/>
                           <ci>aspp</ci>
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                        <ci>K_aspp</ci>
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                     <plus/>
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                        <times/>
                        <ci>K_ATP</ci>
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                           <plus/>
                           <cn cellml:units="dimensionless">1</cn>
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                              <divide/>
                              <ci>ADP</ci>
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            <eq/>
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               <divide/>
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                     <minus/>
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                                 <divide/>
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            <ci>vTS</ci>
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               <divide/>
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                  <times/>
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                     <minus/>
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                        <ci>K_ATP</ci>
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                           <plus/>
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                              <divide/>
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   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Thr" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ATP" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ADP" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADP" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADPH" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Pi" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Lys" component_2="environment"/>
      <map_variables variable_1="time" variable_2="time"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Asp" component_2="vAKI"/>
      <map_variables variable_1="Asp" variable_2="Asp"/>
      <map_variables variable_1="vAKI" variable_2="vAKI"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="aspp" component_2="vAKI"/>
      <map_variables variable_1="aspp" variable_2="aspp"/>
      <map_variables variable_1="vAKI" variable_2="vAKI"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Thr" component_2="vAKI"/>
      <map_variables variable_1="Thr" variable_2="Thr"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ATP" component_2="vAKI"/>
      <map_variables variable_1="ATP" variable_2="ATP"/>
      <map_variables variable_1="vAKI" variable_2="vAKI"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ADP" component_2="vAKI"/>
      <map_variables variable_1="ADP" variable_2="ADP"/>
      <map_variables variable_1="vAKI" variable_2="vAKI"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="aspp" component_2="vASD"/>
      <map_variables variable_1="aspp" variable_2="aspp"/>
      <map_variables variable_1="vASD" variable_2="vASD"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ASA" component_2="vASD"/>
      <map_variables variable_1="ASA" variable_2="ASA"/>
      <map_variables variable_1="vASD" variable_2="vASD"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Pi" component_2="vASD"/>
      <map_variables variable_1="Pi" variable_2="Pi"/>
      <map_variables variable_1="vASD" variable_2="vASD"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Pi" component_2="vTS"/>
      <map_variables variable_1="vTS" variable_2="vTS"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADPH" component_2="vASD"/>
      <map_variables variable_1="NADPH" variable_2="NADPH"/>
      <map_variables variable_1="vASD" variable_2="vASD"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADP" component_2="vASD"/>
      <map_variables variable_1="NADP" variable_2="NADP"/>
      <map_variables variable_1="vASD" variable_2="vASD"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ASA" component_2="vHDH"/>
      <map_variables variable_1="ASA" variable_2="ASA"/>
      <map_variables variable_1="vHDH" variable_2="vHDH"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="hs" component_2="vHDH"/>
      <map_variables variable_1="hs" variable_2="hs"/>
      <map_variables variable_1="vHDH" variable_2="vHDH"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Thr" component_2="vHDH"/>
      <map_variables variable_1="Thr" variable_2="Thr"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Thr" component_2="vTS"/>
      <map_variables variable_1="vTS" variable_2="vTS"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADPH" component_2="vHDH"/>
      <map_variables variable_1="NADPH" variable_2="NADPH"/>
      <map_variables variable_1="vHDH" variable_2="vHDH"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="NADP" component_2="vHDH"/>
      <map_variables variable_1="NADP" variable_2="NADP"/>
      <map_variables variable_1="vHDH" variable_2="vHDH"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="hs" component_2="vHK"/>
      <map_variables variable_1="hs" variable_2="hs"/>
      <map_variables variable_1="vHK" variable_2="vHK"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Thr" component_2="vHK"/>
      <map_variables variable_1="Thr" variable_2="Thr"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Lys" component_2="vHK"/>
      <map_variables variable_1="Lys" variable_2="Lys"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ATP" component_2="vHK"/>
      <map_variables variable_1="ATP" variable_2="ATP"/>
      <map_variables variable_1="vHK" variable_2="vHK"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ADP" component_2="vHK"/>
      <map_variables variable_1="vHK" variable_2="vHK"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="hsp" component_2="vTS"/>
      <map_variables variable_1="hsp" variable_2="hsp"/>
      <map_variables variable_1="vTS" variable_2="vTS"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="hsp" component_2="vHK"/>
      <map_variables variable_1="vHK" variable_2="vHK"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Asp" component_2="vAKIII"/>
      <map_variables variable_1="Asp" variable_2="Asp"/>
      <map_variables variable_1="vAKIII" variable_2="vAKIII"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="aspp" component_2="vAKIII"/>
      <map_variables variable_1="aspp" variable_2="aspp"/>
      <map_variables variable_1="vAKIII" variable_2="vAKIII"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="Lys" component_2="vAKIII"/>
      <map_variables variable_1="Lys" variable_2="Lys"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ATP" component_2="vAKIII"/>
      <map_variables variable_1="ATP" variable_2="ATP"/>
      <map_variables variable_1="vAKIII" variable_2="vAKIII"/>
   </connection>
   <connection xmlns="http://www.cellml.org/cellml/1.0#">
      <map_components component_1="ADP" component_2="vAKIII"/>
      <map_variables variable_1="ADP" variable_2="ADP"/>
      <map_variables variable_1="vAKIII" variable_2="vAKIII"/>
   </connection>
</model>