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Structure paper

TitleStructural basis for the design of potent and species-specific inhibitors of 3-hydroxy-3-methylglutaryl CoA synthases.
Journal, issue, pagesProc. Natl. Acad. Sci. Usa, Vol. 103, Page 11491-11496, Year 2006
Publish dateDec 1, 2005 (structure data deposition date)
AuthorsPojer, F. / Ferrer, J.L. / Richard, S.B. / Nagegowda, D.A. / Chye, M.L. / Bach, T.J. / Noel, J.P.
External linksProc. Natl. Acad. Sci. Usa / PubMed:16864776
MethodsX-ray diffraction
Resolution2.1 - 2.52 Å
Structure data

PDB-2f82:
HMG-CoA synthase from Brassica juncea in the apo-form
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2f9a:
HMG-CoA synthase from Brassica juncea in complex with F-244
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

PDB-2fa0:
HMG-CoA synthase from Brassica juncea in complex with HMG-CoA and covalently bound to HMG-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-2fa3:
HMG-CoA synthase from Brassica juncea in complex with acetyl-CoA and acetyl-cys117.
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-F24:
(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid / antibiotic*YM

ChemComp-HMG:
3-HYDROXY-3-METHYLGLUTARYL-COENZYME A

ChemComp-ACO:
ACETYL COENZYME *A

Source
  • brassica juncea (brown mustard)
KeywordsTRANSFERASE / HMGS1 / F-244 / HMG-CoA / Acetyl-coA

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