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Structure paper

TitleA Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
Journal, issue, pagesAcs Chem. Biol., Vol. 14, Page 1802-1810, Year 2019
Publish dateJan 22, 2019 (structure data deposition date)
AuthorsHong, J.Y. / Price, I.R. / Bai, J.J. / Lin, H.
External linksAcs Chem. Biol. / PubMed:31373792
MethodsX-ray diffraction
Resolution2.45 Å
Structure data

PDB-6nr0:
SIRT2(56-356) with covalent intermediate between mechanism-based inhibitor Glucose-TM-1beta and 1'-SH ADP-ribose
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-KXJ:
N~2~-[3-(2-hydroxyethoxy)propanoyl]-N-phenyl-N~6~-tetradecanethioyl-L-lysinamide

ChemComp-KXG:
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate

ChemComp-NA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / inhibitor / intermediate / deacylase / HYDROLASE / hydrolase-hydrolase inhibitor complex

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