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Suicide Inactivation of Dioldehydratase by Glycolaldehyde and Chloroacetaldehyde: an Examinaton of the Reaction Mechanism

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Sandala, Gregory; Smith, David M; Coote, Michelle; Radom, Leo

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High-level ab initio calculations have been used to study the mechanism for the inactivation of diol dehydratase (DDH) by glycolaldehyde or 2-chloroacetaldehyde. As in the case of the catalytic substrates of DDH, e.g., ethane-1,2-diol, the 5′-deoxyadeno

dc.contributor.authorSandala, Gregory
dc.contributor.authorSmith, David M
dc.contributor.authorCoote, Michelle
dc.contributor.authorRadom, Leo
dc.date.accessioned2015-12-13T23:07:52Z
dc.identifier.issn0002-7863
dc.identifier.urihttp://hdl.handle.net/1885/86396
dc.description.abstractHigh-level ab initio calculations have been used to study the mechanism for the inactivation of diol dehydratase (DDH) by glycolaldehyde or 2-chloroacetaldehyde. As in the case of the catalytic substrates of DDH, e.g., ethane-1,2-diol, the 5′-deoxyadeno
dc.publisherAmerican Chemical Society
dc.sourceJournal of the American Chemical Society
dc.subjectKeywords: aldehyde derivative; chloroacetaldehyde; diodehydratase; glycoaldehyde; hydrolyase; unclassified drug; article; catalysis; electron spin resonance; enzyme inactivation; enzyme substrate complex; reaction analysis; structure analysis; Acetaldehyde; Binding
dc.titleSuicide Inactivation of Dioldehydratase by Glycolaldehyde and Chloroacetaldehyde: an Examinaton of the Reaction Mechanism
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume126
dc.date.issued2004
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.absfor030505 - Physical Organic Chemistry
local.identifier.ariespublicationMigratedxPub15269
local.type.statusPublished Version
local.contributor.affiliationSandala, Gregory, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationSmith, David M, Rudjer Boskovic Institute
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationRadom, Leo, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue39
local.bibliographicCitation.startpage12206
local.bibliographicCitation.lastpage12207
local.identifier.doi10.1021/ja047377f
dc.date.updated2015-12-12T08:11:10Z
local.identifier.scopusID2-s2.0-4644359224
CollectionsANU Research Publications

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