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Structure paper

TitleStructural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Journal, issue, pagesSci Rep, Vol. 9, Page 19176-19176, Year 2019
Publish dateDec 27, 2018 (structure data deposition date)
AuthorsYou, W. / Zheng, W. / Weiss, S. / Chua, K.F. / Steegborn, C.
External linksSci Rep / PubMed:31844103
MethodsX-ray diffraction
Resolution1.84 - 2.23 Å
Structure data

PDB-6qcd:
Human Sirt6 in complex with ADP-ribose and the activator quercetin
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6qce:
Human Sirt6 in complex with ADP-ribose and the activator isoquercetin
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-6qch:
Human Sirt6 in complex with ADP-ribose and the activator cyanidin
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6qcj:
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-6qcn:
Human Sirt2 in complex with ADP-ribose and the inhibitor quercetin
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

Chemicals

ChemComp-AR6:
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-QUE:
3,5,7,3',4'-PENTAHYDROXYFLAVONE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-HW2:
isoquercetin

ChemComp-HWB:
cyanidin

ChemComp-XEG:
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Deacylase / Activator / Flavone / Allosteric / Isoform-selective / Quercetin derivative / NAD+ competitive inhibitor / Substrate competitive inhibitor

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