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Structure paper

TitleStructural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.
Journal, issue, pagesJ. Bacteriol., Vol. 202, Year 2020
Publish dateDec 17, 2019 (structure data deposition date)
AuthorsNeetu, N. / Katiki, M. / Dev, A. / Gaur, S. / Tomar, S. / Kumar, P.
External linksJ. Bacteriol. / PubMed:32661075
MethodsX-ray diffraction
Resolution1.88 - 2.503 Å
Structure data

PDB-6lk2:
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid
Method: X-RAY DIFFRACTION / Resolution: 2.503 Å

PDB-6lla:
Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-7LH:
(1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • providencia alcalifaciens f90-2004 (bacteria)
KeywordsLYASE / Rossmann fold / Cytoplasm / Metal-binding / NAD-binding / chlorogenic acid

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