Theoretical and experimental measures of DNA helix stability and their relation to sequence specific repair of O6-ethylguanine lesions.
Identifieur interne : 002990 ( PubMed/Corpus ); précédent : 002989; suivant : 002991Theoretical and experimental measures of DNA helix stability and their relation to sequence specific repair of O6-ethylguanine lesions.
Auteurs : C K Foley ; L G Pedersen ; T A Darden ; B W Glickman ; M W AndersonSource :
- Mutation research [ 0027-5107 ] ; 1991.
English descriptors
- KwdEn :
- Base Sequence, DNA Damage, DNA Repair (physiology), DNA, Bacterial (chemistry), DNA, Bacterial (metabolism), Escherichia coli (drug effects), Escherichia coli (genetics), Escherichia coli (metabolism), Ethyl Methanesulfonate (toxicity), Guanine (analogs & derivatives), Guanine (metabolism), Kinetics, Molecular Sequence Data, Nucleic Acid Conformation, Thermodynamics.
- MESH :
- chemical , analogs & derivatives : Guanine.
- chemical , chemistry : DNA, Bacterial.
- chemical , metabolism : DNA, Bacterial, Guanine.
- drug effects : Escherichia coli.
- genetics : Escherichia coli.
- metabolism : Escherichia coli.
- physiology : DNA Repair.
- chemical , toxicity : Ethyl Methanesulfonate.
- Base Sequence, DNA Damage, Kinetics, Molecular Sequence Data, Nucleic Acid Conformation, Thermodynamics.
Abstract
Recent work (Breslauer et al. (1986) Proc. Natl. Acad. Sci. (U.S.A.), 83, 3746) has provided a method for calculating empirical thermodynamic quantities for helix to coil transitions from the base sequence of any oligomer. It is shown in this work that the DNA helix binding energy, calculated with the AMBER force field, for 9-mers of the type 5'-GGGXGeYGGG-3', where X and Y are any base and the central Ge is O6-ethylguanine, correlates well with the empirical delta G for helix to strand transitions. The mutation spectrum of ethane methylsulfonate (EMS) in the lacI gene of Escherichia coli can be modeled using the calculated local binding energy but the empirical free energies, enthalpies and melting temperatures predict these levels of repair less well. The relation of the binding energy to the mutation spectrum can be somewhat improved by including entropic effects in a theoretical free energy of binding as given by delta G theoretical identical to delta E binding - T delta S.
DOI: 10.1016/0921-8777(91)90021-g
PubMed: 2067552
Links to Exploration step
pubmed:2067552Le document en format XML
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(1986) Proc. Natl. Acad. Sci. (U.S.A.), 83, 3746) has provided a method for calculating empirical thermodynamic quantities for helix to coil transitions from the base sequence of any oligomer. It is shown in this work that the DNA helix binding energy, calculated with the AMBER force field, for 9-mers of the type 5'-GGGXGeYGGG-3', where X and Y are any base and the central Ge is O6-ethylguanine, correlates well with the empirical delta G for helix to strand transitions. The mutation spectrum of ethane methylsulfonate (EMS) in the lacI gene of Escherichia coli can be modeled using the calculated local binding energy but the empirical free energies, enthalpies and melting temperatures predict these levels of repair less well. The relation of the binding energy to the mutation spectrum can be somewhat improved by including entropic effects in a theoretical free energy of binding as given by delta G theoretical identical to delta E binding - T delta S.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">2067552</PMID><DateCompleted><Year>1991</Year><Month>08</Month><Day>12</Day></DateCompleted><DateRevised><Year>2019</Year><Month>07</Month><Day>02</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Print">0027-5107</ISSN><JournalIssue CitedMedium="Print"><Volume>255</Volume><Issue>1</Issue><PubDate><Year>1991</Year><Month>Jul</Month></PubDate></JournalIssue><Title>Mutation research</Title><ISOAbbreviation>Mutat. Res.</ISOAbbreviation></Journal><ArticleTitle>Theoretical and experimental measures of DNA helix stability and their relation to sequence specific repair of O6-ethylguanine lesions.</ArticleTitle><Pagination><MedlinePgn>89-93</MedlinePgn></Pagination><Abstract><AbstractText>Recent work (Breslauer et al. (1986) Proc. Natl. Acad. Sci. (U.S.A.), 83, 3746) has provided a method for calculating empirical thermodynamic quantities for helix to coil transitions from the base sequence of any oligomer. It is shown in this work that the DNA helix binding energy, calculated with the AMBER force field, for 9-mers of the type 5'-GGGXGeYGGG-3', where X and Y are any base and the central Ge is O6-ethylguanine, correlates well with the empirical delta G for helix to strand transitions. The mutation spectrum of ethane methylsulfonate (EMS) in the lacI gene of Escherichia coli can be modeled using the calculated local binding energy but the empirical free energies, enthalpies and melting temperatures predict these levels of repair less well. The relation of the binding energy to the mutation spectrum can be somewhat improved by including entropic effects in a theoretical free energy of binding as given by delta G theoretical identical to delta E binding - T delta S.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Foley</LastName><ForeName>C K</ForeName><Initials>CK</Initials><AffiliationInfo><Affiliation>Laboratory of Molecular Toxicology, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Pedersen</LastName><ForeName>L G</ForeName><Initials>LG</Initials></Author><Author ValidYN="Y"><LastName>Darden</LastName><ForeName>T A</ForeName><Initials>TA</Initials></Author><Author ValidYN="Y"><LastName>Glickman</LastName><ForeName>B W</ForeName><Initials>BW</Initials></Author><Author ValidYN="Y"><LastName>Anderson</LastName><ForeName>M W</ForeName><Initials>MW</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>Netherlands</Country><MedlineTA>Mutat Res</MedlineTA><NlmUniqueID>0400763</NlmUniqueID><ISSNLinking>0027-5107</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D004269">DNA, Bacterial</NameOfSubstance></Chemical><Chemical><RegistryNumber>51866-19-4</RegistryNumber><NameOfSubstance UI="C007673">6-ethylguanine</NameOfSubstance></Chemical><Chemical><RegistryNumber>5Z93L87A1R</RegistryNumber><NameOfSubstance UI="D006147">Guanine</NameOfSubstance></Chemical><Chemical><RegistryNumber>9H154DI0UP</RegistryNumber><NameOfSubstance UI="D005020">Ethyl Methanesulfonate</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D001483" MajorTopicYN="N">Base Sequence</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D004249" MajorTopicYN="Y">DNA Damage</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D004260" MajorTopicYN="N">DNA Repair</DescriptorName><QualifierName UI="Q000502" MajorTopicYN="Y">physiology</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D004269" MajorTopicYN="N">DNA, Bacterial</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName><QualifierName UI="Q000378" MajorTopicYN="N">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D004926" MajorTopicYN="N">Escherichia coli</DescriptorName><QualifierName UI="Q000187" MajorTopicYN="N">drug effects</QualifierName><QualifierName UI="Q000235" MajorTopicYN="N">genetics</QualifierName><QualifierName UI="Q000378" MajorTopicYN="N">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D005020" MajorTopicYN="N">Ethyl Methanesulfonate</DescriptorName><QualifierName UI="Q000633" MajorTopicYN="N">toxicity</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D006147" MajorTopicYN="N">Guanine</DescriptorName><QualifierName UI="Q000031" MajorTopicYN="Y">analogs & derivatives</QualifierName><QualifierName UI="Q000378" MajorTopicYN="N">metabolism</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D007700" MajorTopicYN="N">Kinetics</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D008969" MajorTopicYN="N">Molecular Sequence Data</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D009690" MajorTopicYN="Y">Nucleic Acid Conformation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013816" MajorTopicYN="N">Thermodynamics</DescriptorName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="pubmed"><Year>1991</Year><Month>7</Month><Day>1</Day></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>1991</Year><Month>7</Month><Day>1</Day><Hour>0</Hour><Minute>1</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>1991</Year><Month>7</Month><Day>1</Day><Hour>0</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">2067552</ArticleId><ArticleId IdType="pii">0921-8777(91)90021-G</ArticleId><ArticleId IdType="doi">10.1016/0921-8777(91)90021-g</ArticleId></ArticleIdList></PubmedData></pubmed></record>Pour manipuler ce document sous Unix (Dilib)
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