Conformational Sub-states and Populations in Enzyme Catalysis.
Identifieur interne : 000173 ( Main/Exploration ); précédent : 000172; suivant : 000174Conformational Sub-states and Populations in Enzyme Catalysis.
Auteurs : P K Agarwal [États-Unis] ; N. Doucet [Canada] ; C. Chennubhotla [États-Unis] ; A. Ramanathan [États-Unis] ; C. Narayanan [Canada]Source :
English descriptors
Abstract
Enzyme function involves substrate and cofactor binding, precise positioning of reactants in the active site, chemical turnover, and release of products. In addition to formation of crucial structural interactions between enzyme and substrate(s), coordinated motions within the enzyme-substrate complex allow reaction to proceed at a much faster rate, compared to the reaction in solution and in the absence of enzyme. An increasing number of enzyme systems show the presence of conserved protein motions that are important for function. A wide variety of motions are naturally sampled (over femtosecond to millisecond time-scales) as the enzyme complex moves along the energetic landscape, driven by temperature and dynamical events from the surrounding environment. Areas of low energy along the landscape form conformational sub-states, which show higher conformational populations than surrounding areas. A small number of these protein conformational sub-states contain functionally important structural and dynamical features, which assist the enzyme mechanism along the catalytic cycle. Identification and characterization of these higher-energy (also called excited) sub-states and the associated populations are challenging, as these sub-states are very short-lived and therefore rarely populated. Specialized techniques based on computer simulations, theoretical modeling, and nuclear magnetic resonance have been developed for quantitative characterization of these sub-states and populations. This chapter discusses these techniques and provides examples of their applications to enzyme systems.
Url:
DOI: 10.1016/bs.mie.2016.05.023
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream Hal, to step Corpus: 000155
- to stream Hal, to step Curation: 000155
- to stream Hal, to step Checkpoint: 000134
- to stream Main, to step Merge: 000173
- to stream Main, to step Curation: 000173
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Conformational Sub-states and Populations in Enzyme Catalysis.</title>
<author><name sortKey="Agarwal, P K" sort="Agarwal, P K" uniqKey="Agarwal P" first="P K" last="Agarwal">P K Agarwal</name>
<affiliation wicri:level="1"><hal:affiliation type="institution" xml:id="struct-303308" status="VALID"><orgName>The University of Tennessee [Knoxville]</orgName>
<desc><address><addrLine> Knoxville, Tennessee 37996</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.utk.edu/</ref>
</desc>
</hal:affiliation>
<country>États-Unis</country>
</affiliation>
</author>
<author><name sortKey="Doucet, N" sort="Doucet, N" uniqKey="Doucet N" first="N" last="Doucet">N. Doucet</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-54664" status="VALID"><orgName>Institut Armand Frappier</orgName>
<orgName type="acronym">INRS-IAF</orgName>
<desc><address><addrLine>531 boul. des Prairies Laval (Québec) H7V 1B7</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.iaf.inrs.ca</ref>
</desc>
<listRelation><relation active="#struct-92448" type="direct"></relation>
<relation active="#struct-301247" type="direct"></relation>
<relation active="#struct-301249" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-92448" type="direct"><org type="institution" xml:id="struct-92448" status="VALID"><orgName>Institut National de la Recherche Scientifique [Québec]</orgName>
<orgName type="acronym">INRS</orgName>
<desc><address><addrLine>490 rue de la Couronne, Québec, QC G1K 9A9</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.inrs.ca/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301247" type="direct"><org type="institution" xml:id="struct-301247" status="VALID"> <orgName>Réseau International des Instituts Pasteur</orgName>
<orgName type="acronym">RIIP</orgName>
<desc> <address> <addrLine>25, rue du Dr Roux 75724 Paris Cedex 15</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.pasteur-international.org</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301249" type="direct"><org type="institution" xml:id="struct-301249" status="VALID"><orgName>Institut Armand Frappier</orgName>
<desc><address><country key="CA"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Canada</country>
</affiliation>
</author>
<author><name sortKey="Chennubhotla, C" sort="Chennubhotla, C" uniqKey="Chennubhotla C" first="C" last="Chennubhotla">C. Chennubhotla</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-184330" status="VALID"> <orgName>University of Pittsburgh [Pittsburg]</orgName>
<desc> <address> <addrLine>4200 Fifth Avenue Pittsburgh, PA 15260</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.pitt.edu/</ref>
</desc>
<listRelation> <relation active="#struct-378064" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-378064" type="direct"><org type="institution" xml:id="struct-378064" status="INCOMING"> <orgName>University of Pittsburgh</orgName>
<desc> <address> <country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>États-Unis</country>
<placeName><settlement type="city">Pittsburgh</settlement>
<region type="state">Pennsylvanie</region>
</placeName>
<orgName type="university">Université de Pittsburgh</orgName>
</affiliation>
</author>
<author><name sortKey="Ramanathan, A" sort="Ramanathan, A" uniqKey="Ramanathan A" first="A" last="Ramanathan">A. Ramanathan</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-28160" status="VALID"><orgName>Oak Ridge National Laboratory [Oak Ridge]</orgName>
<orgName type="acronym">ORNL</orgName>
<desc><address><addrLine>P.O. Box 2008 Oak Ridge, TN 37831</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.ornl.gov/</ref>
</desc>
<listRelation><relation active="#struct-301590" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-301590" type="direct"><org type="institution" xml:id="struct-301590" status="VALID"><orgName>UI-Battelle</orgName>
<desc><address><country key="US"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>États-Unis</country>
</affiliation>
</author>
<author><name sortKey="Narayanan, C" sort="Narayanan, C" uniqKey="Narayanan C" first="C" last="Narayanan">C. Narayanan</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-54664" status="VALID"><orgName>Institut Armand Frappier</orgName>
<orgName type="acronym">INRS-IAF</orgName>
<desc><address><addrLine>531 boul. des Prairies Laval (Québec) H7V 1B7</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.iaf.inrs.ca</ref>
</desc>
<listRelation><relation active="#struct-92448" type="direct"></relation>
<relation active="#struct-301247" type="direct"></relation>
<relation active="#struct-301249" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-92448" type="direct"><org type="institution" xml:id="struct-92448" status="VALID"><orgName>Institut National de la Recherche Scientifique [Québec]</orgName>
<orgName type="acronym">INRS</orgName>
<desc><address><addrLine>490 rue de la Couronne, Québec, QC G1K 9A9</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.inrs.ca/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301247" type="direct"><org type="institution" xml:id="struct-301247" status="VALID"> <orgName>Réseau International des Instituts Pasteur</orgName>
<orgName type="acronym">RIIP</orgName>
<desc> <address> <addrLine>25, rue du Dr Roux 75724 Paris Cedex 15</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.pasteur-international.org</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301249" type="direct"><org type="institution" xml:id="struct-301249" status="VALID"><orgName>Institut Armand Frappier</orgName>
<desc><address><country key="CA"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Canada</country>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">HAL</idno>
<idno type="RBID">Hal:pasteur-01356413</idno>
<idno type="halId">pasteur-01356413</idno>
<idno type="halUri">https://hal-pasteur.archives-ouvertes.fr/pasteur-01356413</idno>
<idno type="url">https://hal-pasteur.archives-ouvertes.fr/pasteur-01356413</idno>
<idno type="doi">10.1016/bs.mie.2016.05.023</idno>
<date when="2015-11-30">2015-11-30</date>
<idno type="wicri:Area/Hal/Corpus">000155</idno>
<idno type="wicri:Area/Hal/Curation">000155</idno>
<idno type="wicri:Area/Hal/Checkpoint">000134</idno>
<idno type="wicri:explorRef" wicri:stream="Hal" wicri:step="Checkpoint">000134</idno>
<idno type="wicri:Area/Main/Merge">000173</idno>
<idno type="wicri:Area/Main/Curation">000173</idno>
<idno type="wicri:Area/Main/Exploration">000173</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">Conformational Sub-states and Populations in Enzyme Catalysis.</title>
<author><name sortKey="Agarwal, P K" sort="Agarwal, P K" uniqKey="Agarwal P" first="P K" last="Agarwal">P K Agarwal</name>
<affiliation wicri:level="1"><hal:affiliation type="institution" xml:id="struct-303308" status="VALID"><orgName>The University of Tennessee [Knoxville]</orgName>
<desc><address><addrLine> Knoxville, Tennessee 37996</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.utk.edu/</ref>
</desc>
</hal:affiliation>
<country>États-Unis</country>
</affiliation>
</author>
<author><name sortKey="Doucet, N" sort="Doucet, N" uniqKey="Doucet N" first="N" last="Doucet">N. Doucet</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-54664" status="VALID"><orgName>Institut Armand Frappier</orgName>
<orgName type="acronym">INRS-IAF</orgName>
<desc><address><addrLine>531 boul. des Prairies Laval (Québec) H7V 1B7</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.iaf.inrs.ca</ref>
</desc>
<listRelation><relation active="#struct-92448" type="direct"></relation>
<relation active="#struct-301247" type="direct"></relation>
<relation active="#struct-301249" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-92448" type="direct"><org type="institution" xml:id="struct-92448" status="VALID"><orgName>Institut National de la Recherche Scientifique [Québec]</orgName>
<orgName type="acronym">INRS</orgName>
<desc><address><addrLine>490 rue de la Couronne, Québec, QC G1K 9A9</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.inrs.ca/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301247" type="direct"><org type="institution" xml:id="struct-301247" status="VALID"> <orgName>Réseau International des Instituts Pasteur</orgName>
<orgName type="acronym">RIIP</orgName>
<desc> <address> <addrLine>25, rue du Dr Roux 75724 Paris Cedex 15</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.pasteur-international.org</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301249" type="direct"><org type="institution" xml:id="struct-301249" status="VALID"><orgName>Institut Armand Frappier</orgName>
<desc><address><country key="CA"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Canada</country>
</affiliation>
</author>
<author><name sortKey="Chennubhotla, C" sort="Chennubhotla, C" uniqKey="Chennubhotla C" first="C" last="Chennubhotla">C. Chennubhotla</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-184330" status="VALID"> <orgName>University of Pittsburgh [Pittsburg]</orgName>
<desc> <address> <addrLine>4200 Fifth Avenue Pittsburgh, PA 15260</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.pitt.edu/</ref>
</desc>
<listRelation> <relation active="#struct-378064" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-378064" type="direct"><org type="institution" xml:id="struct-378064" status="INCOMING"> <orgName>University of Pittsburgh</orgName>
<desc> <address> <country key="FR"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>États-Unis</country>
<placeName><settlement type="city">Pittsburgh</settlement>
<region type="state">Pennsylvanie</region>
</placeName>
<orgName type="university">Université de Pittsburgh</orgName>
</affiliation>
</author>
<author><name sortKey="Ramanathan, A" sort="Ramanathan, A" uniqKey="Ramanathan A" first="A" last="Ramanathan">A. Ramanathan</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-28160" status="VALID"><orgName>Oak Ridge National Laboratory [Oak Ridge]</orgName>
<orgName type="acronym">ORNL</orgName>
<desc><address><addrLine>P.O. Box 2008 Oak Ridge, TN 37831</addrLine>
<country key="US"></country>
</address>
<ref type="url">http://www.ornl.gov/</ref>
</desc>
<listRelation><relation active="#struct-301590" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-301590" type="direct"><org type="institution" xml:id="struct-301590" status="VALID"><orgName>UI-Battelle</orgName>
<desc><address><country key="US"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>États-Unis</country>
</affiliation>
</author>
<author><name sortKey="Narayanan, C" sort="Narayanan, C" uniqKey="Narayanan C" first="C" last="Narayanan">C. Narayanan</name>
<affiliation wicri:level="1"><hal:affiliation type="laboratory" xml:id="struct-54664" status="VALID"><orgName>Institut Armand Frappier</orgName>
<orgName type="acronym">INRS-IAF</orgName>
<desc><address><addrLine>531 boul. des Prairies Laval (Québec) H7V 1B7</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.iaf.inrs.ca</ref>
</desc>
<listRelation><relation active="#struct-92448" type="direct"></relation>
<relation active="#struct-301247" type="direct"></relation>
<relation active="#struct-301249" type="direct"></relation>
</listRelation>
<tutelles><tutelle active="#struct-92448" type="direct"><org type="institution" xml:id="struct-92448" status="VALID"><orgName>Institut National de la Recherche Scientifique [Québec]</orgName>
<orgName type="acronym">INRS</orgName>
<desc><address><addrLine>490 rue de la Couronne, Québec, QC G1K 9A9</addrLine>
<country key="CA"></country>
</address>
<ref type="url">http://www.inrs.ca/</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301247" type="direct"><org type="institution" xml:id="struct-301247" status="VALID"> <orgName>Réseau International des Instituts Pasteur</orgName>
<orgName type="acronym">RIIP</orgName>
<desc> <address> <addrLine>25, rue du Dr Roux 75724 Paris Cedex 15</addrLine>
<country key="FR"></country>
</address>
<ref type="url">http://www.pasteur-international.org</ref>
</desc>
</org>
</tutelle>
<tutelle active="#struct-301249" type="direct"><org type="institution" xml:id="struct-301249" status="VALID"><orgName>Institut Armand Frappier</orgName>
<desc><address><country key="CA"></country>
</address>
</desc>
</org>
</tutelle>
</tutelles>
</hal:affiliation>
<country>Canada</country>
</affiliation>
</author>
</analytic>
<idno type="DOI">10.1016/bs.mie.2016.05.023</idno>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass><keywords scheme="mix" xml:lang="en"><term> Computational modeling; Conformational dynamics; Conformational population; Conformational substates; Enzyme dynamics; Nuclear magnetic resonance; Protein relaxation</term>
</keywords>
</textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">Enzyme function involves substrate and cofactor binding, precise positioning of reactants in the active site, chemical turnover, and release of products. In addition to formation of crucial structural interactions between enzyme and substrate(s), coordinated motions within the enzyme-substrate complex allow reaction to proceed at a much faster rate, compared to the reaction in solution and in the absence of enzyme. An increasing number of enzyme systems show the presence of conserved protein motions that are important for function. A wide variety of motions are naturally sampled (over femtosecond to millisecond time-scales) as the enzyme complex moves along the energetic landscape, driven by temperature and dynamical events from the surrounding environment. Areas of low energy along the landscape form conformational sub-states, which show higher conformational populations than surrounding areas. A small number of these protein conformational sub-states contain functionally important structural and dynamical features, which assist the enzyme mechanism along the catalytic cycle. Identification and characterization of these higher-energy (also called excited) sub-states and the associated populations are challenging, as these sub-states are very short-lived and therefore rarely populated. Specialized techniques based on computer simulations, theoretical modeling, and nuclear magnetic resonance have been developed for quantitative characterization of these sub-states and populations. This chapter discusses these techniques and provides examples of their applications to enzyme systems.</div>
</front>
</TEI>
<affiliations><list><country><li>Canada</li>
<li>États-Unis</li>
</country>
<region><li>Pennsylvanie</li>
</region>
<settlement><li>Pittsburgh</li>
</settlement>
<orgName><li>Université de Pittsburgh</li>
</orgName>
</list>
<tree><country name="États-Unis"><noRegion><name sortKey="Agarwal, P K" sort="Agarwal, P K" uniqKey="Agarwal P" first="P K" last="Agarwal">P K Agarwal</name>
</noRegion>
<name sortKey="Chennubhotla, C" sort="Chennubhotla, C" uniqKey="Chennubhotla C" first="C" last="Chennubhotla">C. Chennubhotla</name>
<name sortKey="Ramanathan, A" sort="Ramanathan, A" uniqKey="Ramanathan A" first="A" last="Ramanathan">A. Ramanathan</name>
</country>
<country name="Canada"><noRegion><name sortKey="Doucet, N" sort="Doucet, N" uniqKey="Doucet N" first="N" last="Doucet">N. Doucet</name>
</noRegion>
<name sortKey="Narayanan, C" sort="Narayanan, C" uniqKey="Narayanan C" first="C" last="Narayanan">C. Narayanan</name>
</country>
</tree>
</affiliations>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Amérique/explor/PittsburghV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 000173 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 000173 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Wicri/Amérique |area= PittsburghV1 |flux= Main |étape= Exploration |type= RBID |clé= Hal:pasteur-01356413 |texte= Conformational Sub-states and Populations in Enzyme Catalysis. }}
This area was generated with Dilib version V0.6.38. |