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TitleVascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY.
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 38124-38134, Year 2012
Publish dateJun 25, 2012 (structure data deposition date)
AuthorsLang, B.S. / Gorren, A.C. / Oberdorfer, G. / Wenzl, M.V. / Furdui, C.M. / Poole, L.B. / Mayer, B. / Gruber, K.
External linksJ. Biol. Chem. / PubMed:22988236
MethodsX-ray diffraction
Resolution2.2 - 2.281 Å
Structure data

PDB-4fqf:
Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2
Method: X-RAY DIFFRACTION / Resolution: 2.281 Å

PDB-4fr8:
Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-2NO:
NITROGEN DIOXIDE

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

ChemComp-MG:
Unknown entry

ChemComp-URE:
UREA

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-TNG:
propane-1,2,3-triyl trinitrate

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

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Rossmann Fold / aldehydes / esters / organic nitrates / NAD / oxidoreductase-intermediate complex / Oxidoreductase/Oxidoreductase inhibitor / Oxidoreductase-Oxidoreductase inhibitor complex

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