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Structure paper

TitlePathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Journal, issue, pagesNat. Chem., Vol. 14, Page 884-890, Year 2022
Publish dateAug 3, 2021 (structure data deposition date)
AuthorsTrottmann, F. / Ishida, K. / Ishida-Ito, M. / Kries, H. / Groll, M. / Hertweck, C.
External linksNat. Chem. / PubMed:35906404
MethodsX-ray diffraction
Resolution1.35 - 2.9 Å
Structure data

PDB-7pcc:
BurG in complex with Mg2+ and NAD+ (holo): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7pce:
BurG (apo): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-7pcg:
BurG (holo) in complex with cyclopropane-1,1-dicarboxylate (7): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7pci:
BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7pcl:
BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7pcm:
BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7pcn:
BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7pco:
BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-7pct:
BurG E232Q mutant (holo) in complex with enol-oxalacetate (15): Biosynthesis of cyclopropanol rings in bacterial toxins
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-PO4:
PHOSPHATE ION

ChemComp-9TY:
cyclopropane-1,1-dicarboxylic acid

ChemComp-74I:
(Z)-2,3-bis(oxidanyl)prop-2-enoic acid

ChemComp-IMD:
IMIDAZOLE

ChemComp-76I:
(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid

ChemComp-NAI:
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE

ChemComp-7I3:
(Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid

ChemComp-NA:
Unknown entry

ChemComp-MSM:
(METHYLSULFANYL)METHANE

ChemComp-7BI:
dimethyl-[(Z)-3,4,5-tris(oxidanyl)-5-oxidanylidene-pent-3-enyl]sulfanium

ChemComp-78I:
(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid

ChemComp-7FI:
(2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid

ChemComp-Y3P:
(~{Z})-2-oxidanylbut-2-enedioic acid

Source
  • burkholderia thailandensis (strain atcc 700388 / dsm 13276 / cip 106301 / e264) (bacteria)
KeywordsLYASE / Pathogens / Natural Products / Toxins / Biosynthesis / Catalysis / Mutagenesis

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