Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
Identifieur interne : 00CD15 ( Main/Merge ); précédent : 00CD14; suivant : 00CD16Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
Auteurs : Ken-Ichiro Tsuda [Japon] ; Hiroki Kaneko [Japon] ; Jiro Shimada [Japon] ; Toshikazu Takada [Japon]Source :
- Computer physics communications [ 0010-4655 ] ; 2001.
Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
Abstract
Protein Kinase C (PKC) is a family of regulatory enzymes. It is considered that binding with phorbol ester which are PKC activators, increases affinity of PKC for the membranes and consequently induces its conformation change. Electrostatic interactions between PKC and the membrane is assumed to be important, and performed ab initio MO calculations of one domain of PKC consisting of 50 amino acids and its complex with the ester is performed to investigate how the electrostatic potential of PKC changes through docking with the substrate. From the calculation, it is shown that the electrostatic potential of PKC near the binding site is dramatically affected through the binding, suggesting attractive interactions with the cell membrane.
Links toward previous steps (curation, corpus...)
- to stream PascalFrancis, to step Corpus: 005926
- to stream PascalFrancis, to step Curation: 000813
- to stream PascalFrancis, to step Checkpoint: 005970
Links to Exploration step
Pascal:02-0154674Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en" level="a">Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes</title>
<author><name sortKey="Tsuda, Ken Ichiro" sort="Tsuda, Ken Ichiro" uniqKey="Tsuda K" first="Ken-Ichiro" last="Tsuda">Ken-Ichiro Tsuda</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Kaneko, Hiroki" sort="Kaneko, Hiroki" uniqKey="Kaneko H" first="Hiroki" last="Kaneko">Hiroki Kaneko</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Shimada, Jiro" sort="Shimada, Jiro" uniqKey="Shimada J" first="Jiro" last="Shimada">Jiro Shimada</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Takada, Toshikazu" sort="Takada, Toshikazu" uniqKey="Takada T" first="Toshikazu" last="Takada">Toshikazu Takada</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">INIST</idno>
<idno type="inist">02-0154674</idno>
<date when="2001">2001</date>
<idno type="stanalyst">PASCAL 02-0154674 INIST</idno>
<idno type="RBID">Pascal:02-0154674</idno>
<idno type="wicri:Area/PascalFrancis/Corpus">005926</idno>
<idno type="wicri:Area/PascalFrancis/Curation">000813</idno>
<idno type="wicri:Area/PascalFrancis/Checkpoint">005970</idno>
<idno type="wicri:explorRef" wicri:stream="PascalFrancis" wicri:step="Checkpoint">005970</idno>
<idno type="wicri:doubleKey">0010-4655:2001:Tsuda K:ab:initio:mo</idno>
<idno type="wicri:Area/Main/Merge">00CD15</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a">Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes</title>
<author><name sortKey="Tsuda, Ken Ichiro" sort="Tsuda, Ken Ichiro" uniqKey="Tsuda K" first="Ken-Ichiro" last="Tsuda">Ken-Ichiro Tsuda</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Kaneko, Hiroki" sort="Kaneko, Hiroki" uniqKey="Kaneko H" first="Hiroki" last="Kaneko">Hiroki Kaneko</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Shimada, Jiro" sort="Shimada, Jiro" uniqKey="Shimada J" first="Jiro" last="Shimada">Jiro Shimada</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
<author><name sortKey="Takada, Toshikazu" sort="Takada, Toshikazu" uniqKey="Takada T" first="Toshikazu" last="Takada">Toshikazu Takada</name>
<affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Fundamental Research Laboratories NEC Corporation</s1>
<s2>34 Miyukigaoka, Tsukuba, 305-8501</s2>
<s3>JPN</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
<sZ>3 aut.</sZ>
<sZ>4 aut.</sZ>
</inist:fA14>
<country>Japon</country>
<wicri:noRegion>Fundamental Research Laboratories NEC Corporation</wicri:noRegion>
</affiliation>
</author>
</analytic>
<series><title level="j" type="main">Computer physics communications</title>
<title level="j" type="abbreviated">Comput. phys. commun.</title>
<idno type="ISSN">0010-4655</idno>
<imprint><date when="2001">2001</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
<seriesStmt><title level="j" type="main">Computer physics communications</title>
<title level="j" type="abbreviated">Comput. phys. commun.</title>
<idno type="ISSN">0010-4655</idno>
</seriesStmt>
</fileDesc>
<profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Ab initio calculations</term>
<term>Calculation methods</term>
<term>Cell cell interaction</term>
<term>Cell membranes</term>
<term>Electrostatic potential</term>
<term>Kinase</term>
<term>Modelling</term>
<term>Molecular orbital method</term>
<term>Proteins</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr"><term>Protéine</term>
<term>Kinase</term>
<term>Membrane plasmique</term>
<term>Potentiel électrostatique</term>
<term>Interaction cellulaire</term>
<term>Méthode orbitale moléculaire</term>
<term>Calcul ab initio</term>
<term>Méthode calcul</term>
<term>Modélisation</term>
<term>Protein Kinase C</term>
<term>PKC</term>
<term>0705T</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Protein Kinase C (PKC) is a family of regulatory enzymes. It is considered that binding with phorbol ester which are PKC activators, increases affinity of PKC for the membranes and consequently induces its conformation change. Electrostatic interactions between PKC and the membrane is assumed to be important, and performed ab initio MO calculations of one domain of PKC consisting of 50 amino acids and its complex with the ester is performed to investigate how the electrostatic potential of PKC changes through docking with the substrate. From the calculation, it is shown that the electrostatic potential of PKC near the binding site is dramatically affected through the binding, suggesting attractive interactions with the cell membrane.</div>
</front>
</TEI>
<affiliations><list><country><li>Japon</li>
</country>
</list>
<tree><country name="Japon"><noRegion><name sortKey="Tsuda, Ken Ichiro" sort="Tsuda, Ken Ichiro" uniqKey="Tsuda K" first="Ken-Ichiro" last="Tsuda">Ken-Ichiro Tsuda</name>
</noRegion>
<name sortKey="Kaneko, Hiroki" sort="Kaneko, Hiroki" uniqKey="Kaneko H" first="Hiroki" last="Kaneko">Hiroki Kaneko</name>
<name sortKey="Shimada, Jiro" sort="Shimada, Jiro" uniqKey="Shimada J" first="Jiro" last="Shimada">Jiro Shimada</name>
<name sortKey="Takada, Toshikazu" sort="Takada, Toshikazu" uniqKey="Takada T" first="Toshikazu" last="Takada">Toshikazu Takada</name>
</country>
</tree>
</affiliations>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Asie/explor/AustralieFrV1/Data/Main/Merge
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 00CD15 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Merge/biblio.hfd -nk 00CD15 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Wicri/Asie |area= AustralieFrV1 |flux= Main |étape= Merge |type= RBID |clé= Pascal:02-0154674 |texte= Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes }}
This area was generated with Dilib version V0.6.33. |