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Structure paper

TitleIsopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 130, Page 10096-, Year 2008
Publish dateSep 4, 2007 (structure data deposition date)
AuthorsGe, W. / Clifton, I.J. / Stok, J.E. / Adlington, R.M. / Baldwin, J.E. / Rutledge, P.J.
External linksJ. Am. Chem. Soc. / PubMed:18620394
MethodsX-ray diffraction
Resolution1.4 - 1.8 Å
Structure data

PDB-2vau:
Isopenicillin N synthase with substrate analogue ACOMP (unexposed)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2vbb:
Isopenicillin N synthase with substrate analogue ACOMP (35minutes oxygen exposure)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-FE2:
Unknown entry

ChemComp-V20:
N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE

ChemComp-HOH:
WATER

ChemComp-VAZ:
N^6^-{(1R)-2-{[(1S,2R)-1-carboxy-2-hydroxy-2-(methylsulfanyl)ethyl]oxy}-1-[(oxidosulfanyl)methyl]-2-oxoethyl}-6-oxo-L-lysine

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

Source
  • emericella nidulans (strain fgsc a4 / atcc 38163 / cbs 112.46 / nrrl 194 / m139) (mold)
KeywordsOXIDOREDUCTASE / ANTIBIOTIC BIOSYNTHESIS / PENICILLIN BIOSYNTHESIS / IRON / OXYGENASE / VITAMIN C / METAL-BINDING / MONOCYCLIC INTERMEDIATE / B-LACTAM ANTIBIOTIC

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