AustralieFrV1, Main, Exploration, bibRecord, 00BE06

Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes

Identifieur interne : 00BE06 ( Main/Exploration ); précédent : 00BE05; suivant : 00BE07

Ab 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.

RBID : Pascal:02-0154674

Descripteurs français

Pascal (Inist)
- Protéine, Kinase, Membrane plasmique, Potentiel électrostatique, Interaction cellulaire, Méthode orbitale moléculaire, Calcul ab initio, Méthode calcul, Modélisation, Protein Kinase C, PKC, 0705T.

English descriptors

KwdEn :
- Ab initio calculations, Calculation methods, Cell cell interaction, Cell membranes, Electrostatic potential, Kinase, Modelling, Molecular orbital method, Proteins.

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.

Affiliations:

Japon

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
to stream Main, to step Merge: 00CD15
to stream Main, to step Curation: 00BE06

Le document en format XML

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<keywords scheme="Pascal" xml:lang="fr"><term>Protéine</term>
<term>Kinase</term>
<term>Membrane plasmique</term>
<term>Potentiel électrostatique</term>
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<term>Méthode orbitale moléculaire</term>
<term>Calcul ab initio</term>
<term>Méthode calcul</term>
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<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>
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<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>
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<name sortKey="Kaneko, Hiroki" sort="Kaneko, Hiroki" uniqKey="Kaneko H" first="Hiroki" last="Kaneko">Hiroki Kaneko</name>
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<name sortKey="Takada, Toshikazu" sort="Takada, Toshikazu" uniqKey="Takada T" first="Toshikazu" last="Takada">Toshikazu Takada</name>
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Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes

Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes

Source :

Descripteurs français

English descriptors

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri