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TitleProbing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1117-1123, Year 2015
Publish dateJul 21, 2014 (structure data deposition date)
AuthorsGritzalis, D. / Park, J. / Chiu, W. / Cho, H. / Lin, Y.S. / De Schutter, J.W. / Lacbay, C.M. / Zielinski, M. / Berghuis, A.M. / Tsantrizos, Y.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25630225
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-4qxs:
Crystal structure of human FPPS in complex with WC01088
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-WC1:
(2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid)

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex

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