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Structure paper

TitleStructural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 27637-27645, Year 2009
Publish dateJul 12, 2009 (structure data deposition date)
AuthorsLiu, Q. / Graeff, R. / Kriksunov, I.A. / Jiang, H. / Zhang, B. / Oppenheimer, N. / Lin, H. / Potter, B.V.L. / Lee, H.C. / Hao, Q.
External linksJ. Biol. Chem. / PubMed:19640846
MethodsX-ray diffraction
Resolution1.75 - 2.18 Å
Structure data

PDB-3i9j:
Crystal structure of ADP ribosyl cyclase complexed with a substrate analog and a product nicotinamide
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-3i9k:
Crystal structure of ADP ribosyl cyclase complexed with substrate NAD
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-3i9l:
Crystal structure of ADP ribosyl cyclase complexed with N1-cIDPR
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3i9m:
Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-3i9n:
Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-NFD:
Nicotinamide 2-fluoro-adenine dinucleotide

ChemComp-AVV:
[(2R,3S,4R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl

ChemComp-NCA:
NICOTINAMIDE / medication*YM

ChemComp-HOH:
WATER

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

ChemComp-N1C:
N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE

ChemComp-AVU:
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl

ChemComp-AVW:
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4S)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate

Source
  • aplysia californica (California sea hare)
  • homo sapiens (human)
KeywordsHYDROLASE / Homodimer / enzyme-analog-nicotinamide complex / ADP-ribosyl cyclase / Disulfide bond / Fertilization / NAD / protein substrate NAD complex / enzyme-product analog complex / Enzyme-analog complex / covalent reaction intermediate / Alpha helices rich domain and alpha/beta domain / Alternative splicing / Diabetes mellitus / Glycoprotein / Membrane / Polymorphism / Receptor / Signal-anchor / Transmembrane

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