Reconstruction of protein conformations from estimated positions of the C alpha coordinates.
Identifieur interne : 000094 ( Pmc/Curation ); précédent : 000093; suivant : 000095Reconstruction of protein conformations from estimated positions of the C alpha coordinates.
Auteurs : P. W. PayneSource :
- Protein Science : A Publication of the Protein Society [ 0961-8368 ] ; 1993.
Abstract
Protein C alpha coordinates are used to accurately reconstruct complete protein backbones and side-chain directions. This work employs potentials of mean force to align semirigid peptide groups around the axes that connect successive C alpha atoms. The algorithm works well for all residue types and secondary structure classes and is stable for imprecise C alpha coordinates. Tests on known protein structures show that root mean square errors in predicted main-chain and C beta coordinates are usually less than 0.3 A. These results are significantly more accurate than can be obtained from competing approaches, such as modeling of backbone conformations from structurally homologous fragments.
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PubMed: 8453371
PubMed Central: 2142385
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Reconstruction of protein conformations from estimated positions of the C alpha coordinates.</title><author><name sortKey="Payne, P W" sort="Payne, P W" uniqKey="Payne P" first="P. W." last="Payne">P. W. Payne</name></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">8453371</idno><idno type="pmc">2142385</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2142385</idno><idno type="RBID">PMC:2142385</idno><date when="1993">1993</date><idno type="wicri:Area/Pmc/Corpus">000094</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000094</idno><idno type="wicri:Area/Pmc/Curation">000094</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000094</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Reconstruction of protein conformations from estimated positions of the C alpha coordinates.</title><author><name sortKey="Payne, P W" sort="Payne, P W" uniqKey="Payne P" first="P. W." last="Payne">P. W. Payne</name></author></analytic><series><title level="j">Protein Science : A Publication of the Protein Society</title><idno type="ISSN">0961-8368</idno><idno type="eISSN">1469-896X</idno><imprint><date when="1993">1993</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>Protein C alpha coordinates are used to accurately reconstruct complete protein backbones and side-chain directions. This work employs potentials of mean force to align semirigid peptide groups around the axes that connect successive C alpha atoms. The algorithm works well for all residue types and secondary structure classes and is stable for imprecise C alpha coordinates. Tests on known protein structures show that root mean square errors in predicted main-chain and C beta coordinates are usually less than 0.3 A. These results are significantly more accurate than can be obtained from competing approaches, such as modeling of backbone conformations from structurally homologous fragments.</p></div></front></TEI><pmc article-type="research-article"><pmc-comment>The publisher of this article does not allow downloading of the full text in XML form.</pmc-comment>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Protein Sci</journal-id><journal-id journal-id-type="pmc">prosci</journal-id><journal-title>Protein Science : A Publication of the Protein Society</journal-title><issn pub-type="ppub">0961-8368</issn><issn pub-type="epub">1469-896X</issn><publisher><publisher-name>Cold Spring Harbor Laboratory Press</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">8453371</article-id><article-id pub-id-type="pmc">2142385</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group></article-categories><title-group><article-title>Reconstruction of protein conformations from estimated positions of the C alpha coordinates.</article-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Payne</surname><given-names>P. W.</given-names></name></contrib></contrib-group><aff>Protein Design Labs, Mountain View, California 94043.</aff><pub-date pub-type="ppub"><month>3</month><year>1993</year></pub-date><volume>2</volume><issue>3</issue><fpage>315</fpage><lpage>324</lpage><abstract><p>Protein C alpha coordinates are used to accurately reconstruct complete protein backbones and side-chain directions. This work employs potentials of mean force to align semirigid peptide groups around the axes that connect successive C alpha atoms. The algorithm works well for all residue types and secondary structure classes and is stable for imprecise C alpha coordinates. Tests on known protein structures show that root mean square errors in predicted main-chain and C beta coordinates are usually less than 0.3 A. These results are significantly more accurate than can be obtained from competing approaches, such as modeling of backbone conformations from structurally homologous fragments.</p></abstract></article-meta></front></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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