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Structure paper

TitleDesign and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Journal, issue, pagesNature, Vol. 570, Page 219-223, Year 2019
Publish dateDec 13, 2018 (structure data deposition date)
AuthorsBurke, A.J. / Lovelock, S.L. / Frese, A. / Crawshaw, R. / Ortmayer, M. / Dunstan, M. / Levy, C. / Green, A.P.
External linksNature / PubMed:31132786
MethodsX-ray diffraction
Resolution1.5 - 2.02 Å
Structure data

PDB-6q7n:
Crystal structure of BH32 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-6q7o:
Crystal structure of OE1
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6q7p:
Crystal structure of OE1.2
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-6q7q:
Crystal structure of OE1.3
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6q7r:
Crystal structure of OE1.3 alkylated with the mechanistic inhibitor 2-bromoacetophenone
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-AC0:
1-PHENYLETHANONE

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MG:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • pyrococcus horikoshii (archaea)
KeywordsHYDROLASE / Computationally designed enzyme

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