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Structure paper

TitleCatalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels-Alderase
Journal, issue, pagesNat Catal, Year 2021
Publish dateJun 24, 2019 (structure data deposition date)
AuthorsSato, M. / Kishimoto, S. / Yokoyama, M. / Jamieson, C.S. / Narita, K. / Maeda, N. / Hara, K. / Hashimoto, H. / Tsunematsu, Y. / Houk, K.N. ...Sato, M. / Kishimoto, S. / Yokoyama, M. / Jamieson, C.S. / Narita, K. / Maeda, N. / Hara, K. / Hashimoto, H. / Tsunematsu, Y. / Houk, K.N. / Tang, Y. / Watanabe, K.
External linksNat Catal / Search PubMed
MethodsX-ray diffraction
Resolution1.99 - 2.01 Å
Structure data

PDB-6kaw:
Crystal structure of CghA
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-6kbc:
Crystal structure of CghA with Sch210972
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-WK1:
(2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid

Source
  • chaetomium globosum (strain atcc 6205 / cbs 148.51 / dsm 1962 / nbrc 6347 / nrrl 1970) (fungus)
KeywordsUNKNOWN FUNCTION / Diels-Alderase

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