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TitleCharacterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
Journal, issue, pagesFEBS J., Vol. 275, Page 2779-, Year 2008
Publish dateJun 8, 2007 (structure data deposition date)
AuthorsSgraja, T. / Alphey, M.S. / Ghilagaber, S. / Marquez, R. / Robertson, M.N. / Hemmings, J.L. / Lauw, S. / Rohdich, F. / Bacher, A. / Eisenreich, W. ...Sgraja, T. / Alphey, M.S. / Ghilagaber, S. / Marquez, R. / Robertson, M.N. / Hemmings, J.L. / Lauw, S. / Rohdich, F. / Bacher, A. / Eisenreich, W. / Illarionova, V. / Hunter, W.N.
External linksFEBS J. / PubMed:18422643
MethodsX-ray diffraction
Resolution2.1 - 2.3 Å
Structure data

PDB-2v2z:
IspE in complex with ADP and CDPME
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-2v34:
IspE in complex with cytidine and ligand
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2v8p:
IspE in complex with ADP and CDP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-CDM:
4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL

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

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-CTN:
4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE

ChemComp-SG3:
[(1E,3R,4S)-4-FLUORO-3,5-DIHYDROXY-4-METHYLPENT-1-EN-1-YL]PHOSPHONIC ACID

ChemComp-CDP:
CYTIDINE-5'-DIPHOSPHATE

Source
  • aquifex aeolicus (bacteria)
KeywordsTRANSFERASE / 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL / AQUIFEX AEOLICUS / NUCLEOTIDE-BINDING / ISOPRENE BIOSYNTHESIS / KINASE / ATP-BINDING / NON-MEVALONATE / 4-DIPHOSPHOCYTIDYL-2C-METHYL-D- ERYTHRITOL

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