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Structure paper

TitleSelf-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Journal, issue, pagesChemistry, Vol. 26, Page 8035-8044, Year 2020
Publish dateAug 1, 2019 (structure data deposition date)
AuthorsLence, E. / Maneiro, M. / Sanz-Gaitero, M. / van Raaij, M.J. / Thompson, P. / Hawkins, A.R. / Gonzalez-Bello, C.
External linksChemistry / PubMed:32259333
MethodsX-ray diffraction
Resolution1.08 - 1.73 Å
Structure data

PDB-6sfe:
CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 7
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-6sfg:
CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 9
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-6sfh:
CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-L9Z:
(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-FQZ:
(1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid

ChemComp-FSQ:
(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid

ChemComp-SO4:
SULFATE ION

ChemComp-LI:
Unknown entry

Source
  • salmonella typhi (bacteria)
  • staphylococcus aureus (bacteria)
KeywordsLYASE / LYASE ACTIVITY / CHORISMATE BIOSYNTHETIC PROCESS / 3-DEHYDROQUINASE / COVALENT INHIBITOR

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