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Structure paper

TitleX-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
Journal, issue, pagesJ. Biol. Chem., Vol. 283, Page 15431-15439, Year 2008
Publish dateDec 14, 2007 (structure data deposition date)
AuthorsShishova, E.Y. / Yu, F. / Miller, D.J. / Faraldos, J.A. / Zhao, Y. / Coates, R.M. / Allemann, R.K. / Cane, D.E. / Christianson, D.W.
External linksJ. Biol. Chem. / PubMed:18385128
MethodsX-ray diffraction
Resolution1.89 - 2.4 Å
Structure data

PDB-3bnx:
Crystal structure of Aristolochene synthase complexed with farnesyl diphosphate
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3bny:
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-3cke:
Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-FPP:
FARNESYL DIPHOSPHATE

ChemComp-GOL:
GLYCEROL

ChemComp-MG:
Unknown entry

ChemComp-POP:
PYROPHOSPHATE 2-

ChemComp-HOH:
WATER

ChemComp-FPF:
(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

ChemComp-CL:
Unknown entry

ChemComp-FDF:
(2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

Source
  • aspergillus terreus (mold)
KeywordsLYASE / sesquiterpene cyclase / farnesyl diphosphate / isoprenoid / magnesium / cyclization / substrate binding / metal ion binding / catalysis / conformational changes

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