Loop dynamics of thymidine diphosphate-rhamnose 3′-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis

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dc.citation.articleNumber12004
dc.citation.issueNumber1
dc.citation.journalTitleStructural Dynamics
dc.citation.volumeNumber3
dc.contributor.authorHan, Lu
dc.contributor.authorSingh, Shanteri
dc.contributor.authorThorson, Jon S.
dc.contributor.authorPhillips, George N.Jr.
dc.date.accessioned2017-05-22T21:48:43Z
dc.date.available2017-05-22T21:48:43Z
dc.date.issued2016
dc.description.abstractStructure analysis and ensemble refinement of the apo-structure of thymidine diphosphate (TDP)-rhamnose 3′-O-methyltransferase reveal a gate for substrate entry and product release. TDP-rhamnose 3′-O-methyltransferase (CalS11) catalyses a 3′-O-methylation of TDP-rhamnose, an intermediate in the biosynthesis of enediyne antitumor antibiotic calicheamicin. CalS11 operates at the sugar nucleotide stage prior to glycosylation step. Here, we present thecrystal structure of the apo form of CalS11 at 1.89 Å resolution. We propose that the L2 loop functions as a gate facilitating and/or providing specificity for substrate entry or promoting product release. Ensemble refinement analysis slightly improves the crystallographic refinement statistics and furthermore provides a compelling way to visualize the dynamic model of loop L2, supporting the understanding of its proposed role in catalysis.
dc.identifier.citationHan, Lu, Singh, Shanteri, Thorson, Jon S., et al.. "Loop dynamics of thymidine diphosphate-rhamnose 3′-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis." <i>Structural Dynamics,</i> 3, no. 1 (2016) AIP Publishing: http://dx.doi.org/10.1063/1.4941368.
dc.identifier.doihttp://dx.doi.org/10.1063/1.4941368
dc.identifier.urihttps://hdl.handle.net/1911/94348
dc.language.isoeng
dc.publisherAIP Publishing
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
dc.titleLoop dynamics of thymidine diphosphate-rhamnose 3′-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpublisher version
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