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Structure paper

TitleTowards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
Journal, issue, pagesBiochim. Biophys. Acta, Vol. 1860, Page 486-497, Year 2015
Publish dateAug 6, 2015 (structure data deposition date)
AuthorsArgyropoulos, P. / Bergeret, F. / Pardin, C. / Reimer, J.M. / Pinto, A. / Boddy, C.N. / Schmeing, T.M.
External linksBiochim. Biophys. Acta / PubMed:26592346
MethodsX-ray diffraction
Resolution1.7 - 2.1 Å
Structure data

PDB-5d3k:
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5d3z:
Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-57H:
prop-2-en-1-ylphosphonic acid

Source
  • saccharopolyspora erythraea (bacteria)
KeywordsHYDROLASE / Thioesterase domaine Alpha / beta hydrolase fold deoxyerythronolide B synthase / hydrolase/hydrolase inhibitor / Thioesterase domaine Alpha / beta hydrolase fold deoxyerythronolide B synthase Allyl phosphonate inhibitor / hydrolase-hydrolase inhibitor complex

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