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Structure paper

TitleNonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 3004-3014, Year 2007
Publish dateOct 24, 2006 (structure data deposition date)
AuthorsSabini, E. / Hazra, S. / Konrad, M. / Lavie, A.
External linksJ. Med. Chem. / PubMed:17530837
MethodsX-ray diffraction
Resolution1.7 - 1.91 Å
Structure data

PDB-2no0:
C4S dCK variant of dCK in complex with gemcitabine+ADP
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2no1:
C4S dCK variant of dCK in complex with D-dC+ADP
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

PDB-2no6:
C4S dCK variant of dCK in complex with FTC+ADP
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-2no7:
C4S dCK variant of dCK in complex with L-dC+ADP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

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

ChemComp-GEO:
GEMCITABINE

ChemComp-HOH:
WATER

ChemComp-DCZ:
2'-DEOXYCYTIDINE

ChemComp-ETV:
4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE / medication, inhibitor*YM

ChemComp-LDC:
4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / dCK / gemcitabine / human deoxycytidine kinase / D-dC / emtricitabine / FTC / enantiomer / antiviral / L-dC / enantioselectivity

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