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TitleA Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 1654-1660, Year 2015
Publish dateAug 12, 2014 (structure data deposition date)
AuthorsGuerra, B. / Bischoff, N. / Bdzhola, V.G. / Yarmoluk, S.M. / Issinger, O.G. / Golub, A.G. / Niefind, K.
External linksAcs Chem. Biol. / PubMed:25961323
MethodsX-ray diffraction
Resolution2.1 - 2.995 Å
Structure data

PDB-4ub7:
High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4uba:
Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26)
Method: X-RAY DIFFRACTION / Resolution: 2.995 Å

Chemicals

ChemComp-3G5:
4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein kinase CK2 / ATP-competitive inhibitors / halogen bond / 4'-carboxy-6 / 8-bromo-flavonol

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