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Structure paper

TitleUnderstanding and Engineering the Stereoselectivity of Humulene Synthase.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 60, Page 20308-20312, Year 2021
Publish dateApr 26, 2021 (structure data deposition date)
AuthorsSchotte, C. / Lukat, P. / Deuschmann, A. / Blankenfeldt, W. / Cox, R.J.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:34180566
MethodsX-ray diffraction
Resolution2.01 - 2.03 Å
Structure data

PDB-7oc4:
Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product.
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-7oc5:
Alpha-humulene synthase AsR6 from Sarocladium schorii
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-7oc6:
Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-PIS:
TRIHYDROGEN THIODIPHOSPHATE

ChemComp-BU3:
(R,R)-2,3-BUTANEDIOL

ChemComp-V8Z:
(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • sarocladium schorii (fungus)
KeywordsBIOSYNTHETIC PROTEIN / cyclase / terpene cyclase / 2E-humulene / alpha-humulene / humulene / xenovulene / tropolone sesquiterpenoid

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