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Structure paper

TitleQuinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Journal, issue, pagesFront Mol Biosci, Vol. 10, Page 1111598-1111598, Year 2023
Publish dateSep 13, 2022 (structure data deposition date)
AuthorsRodriguez, A. / Maneiro, M. / Lence, E. / Otero, J.M. / van Raaij, M.J. / Thompson, P. / Hawkins, A.R. / Gonzalez-Bello, C.
External linksFront Mol Biosci / PubMed:36762206
MethodsX-ray diffraction
Resolution1.55 - 1.9 Å
Structure data

PDB-8b2a:
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8b2b:
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8b2c:
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-PVI:
(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-OVU:
(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

Source
  • staphylococcus aureus (bacteria)
  • salmonella enterica subsp. enterica serovar typhi (bacteria)
KeywordsLYASE / CHORISMATE BIOSYNTHETIC PROCESS / 3-DEHYDROQUINASE

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