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Structure paper

TitleCrystal structures of pertussis toxin with NAD + and analogs provide structural insights into the mechanism of its cytosolic ADP-ribosylation activity.
Journal, issue, pagesJ. Biol. Chem., Vol. 298, Page 101892-101892, Year 2022
Publish dateOct 20, 2021 (structure data deposition date)
AuthorsSakari, M. / Tran, M.T. / Rossjohn, J. / Pulliainen, A.T. / Beddoe, T. / Littler, D.R.
External linksJ. Biol. Chem. / PubMed:35378130
MethodsX-ray diffraction
Resolution1.00010998749 - 1.65000771809 Å
Structure data

PDB-7ski:
Pertussis toxin in complex with PJ34
Method: X-RAY DIFFRACTION / Resolution: 1.09912437248 Å

PDB-7skk:
pertussis toxin in complex with ADPR and Nicotinamide
Method: X-RAY DIFFRACTION / Resolution: 1.65000771809 Å

PDB-7sky:
Pertussis toxin S1 bound to NAD+
Method: X-RAY DIFFRACTION / Resolution: 1.37000129415 Å

PDB-7sne:
Pertussis toxin S1 subunit bound to BaAD
Method: X-RAY DIFFRACTION / Resolution: 1.00010998749 Å

PDB-7u6z:
Pertussis toxin E129D NAD
Method: X-RAY DIFFRACTION / Resolution: 1.30001992416 Å

Chemicals

ChemComp-P34:
N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE

ChemComp-HOH:
WATER

ChemComp-NCA:
NICOTINAMIDE / medication*YM

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

ChemComp-SO4:
SULFATE ION

ChemComp-IOD:
IODIDE ION

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

ChemComp-9XR:
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

Source
  • bordetella pertussis (bacteria)
KeywordsTOXIN / TRANSFERASE/INHIBITOR / ADP-RIBOSYLTRANSFERASE / TRANSFERASE / WHOOPING COUGH / INHIBITOR / PERTUSSIS / TRANSFERASE-INHIBITOR complex / pertussis toxin / S1 / ADP ribosyltransferase

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