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Structure paper

TitleDissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme.
Journal, issue, pagesStructure, Vol. 25, Page 1120-1129.e3, Year 2017
Publish dateMay 30, 2016 (structure data deposition date)
AuthorsMisra, M. / Kuhn, M. / Lobel, M. / An, H. / Statsyuk, A.V. / Sotriffer, C. / Schindelin, H.
External linksStructure / PubMed:28578874
MethodsX-ray diffraction
Resolution2.3 - 2.76 Å
Structure data

PDB-5l6h:
Uba1 in complex with Ub-ABPA3 covalent adduct
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-5l6i:
Uba1 in complex with Ub-MLN4924 covalent adduct
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-5l6j:
Uba1 in complex with Ub-MLN7243 covalent adduct
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-6O2:
[(2~{R},3~{S},4~{R},5~{R})-5-[6-[(3-ethynylphenyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate

ChemComp-MG:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-B39:
[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate

ChemComp-61T:
[(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

Source
  • saccharomyces cerevisiae (strain atcc 204508 / s288c) (yeast)
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsLIGASE / E1 enzyme / ubiquitin activation / Uba1 inhibitor / adenosyl sulfamate

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