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Structure paper

TitleCrystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
Journal, issue, pagesJ. Biol. Chem., Vol. 285, Page 16330-16340, Year 2010
Publish dateNov 29, 2008 (structure data deposition date)
AuthorsHong, B.S. / Allali-Hassani, A. / Tempel, W. / Finerty, P.J. / Mackenzie, F. / Dimov, S. / Vedadi, M. / Park, H.W.
External linksJ. Biol. Chem. / PubMed:20299452
MethodsX-ray diffraction
Resolution1.302 - 1.7 Å
Structure data

PDB-3feg:
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
Method: X-RAY DIFFRACTION / Resolution: 1.302 Å

PDB-3g15:
Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-3lq3:
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

ChemComp-HC7:
(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium

ChemComp-SO4:
SULFATE ION

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

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-MG:
Unknown entry

ChemComp-UNX:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-HC6:
(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / non-protein kinase / choline kinase / Structural Genomics Consortium / SGC / hemicholinium-3 / phosphorylation / Kinase / Phosphoprotein / ATP-binding / Nucleotide-binding / Phospholipid biosynthesis

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