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Structure paper

TitleImpact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 111, Page 8013-8018, Year 2014
Publish dateDec 20, 2013 (structure data deposition date)
AuthorsPreiswerk, N. / Beck, T. / Schulz, J.D. / Milovnik, P. / Mayer, C. / Siegel, J.B. / Baker, D. / Hilvert, D.
External linksProc. Natl. Acad. Sci. USA / PubMed:24847076
MethodsX-ray diffraction
Resolution1.8 - 2.9 Å
Structure data

PDB-4o5s:
Crystal structure of Diels-Alderase CE11
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4o5t:
Crystal structure of Diels-Alderase CE20 in complex with a product analog
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-XDA:
4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate

Source
  • loligo vulgaris (squid)
KeywordsDe Novo Protein / Hydrolase / protein engineering / computer-aided design / Diels-Alder reaction / enzyme design / directed evolution / substrate specificity / beta-propeller / helix-loop-helix / artificial catalyst / Diels-Alderase / catalyst for cycloaddition / enzyme-product analog complex'

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