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Structure paper

TitleCrystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Journal, issue, pagesChemistry, Vol. 23, Page 18289-18295, Year 2017
Publish dateJun 8, 2017 (structure data deposition date)
AuthorsPatel, K.M. / Teran, D. / Zheng, S. / Kandale, A. / Garcia, M. / Lv, Y. / Schembri, M.A. / McGeary, R.P. / Schenk, G. / Guddat, L.W.
External linksChemistry / PubMed:28975665
MethodsX-ray diffraction
Resolution1.373 - 1.589 Å
Structure data

PDB-5w3k:
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD
Method: X-RAY DIFFRACTION / Resolution: 1.589 Å

PDB-6aqj:
Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity.
Method: X-RAY DIFFRACTION / Resolution: 1.373 Å

Chemicals

ChemComp-9TY:
cyclopropane-1,1-dicarboxylic acid

ChemComp-MG:
Unknown entry

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

ChemComp-40E:
oxo(propan-2-ylamino)acetic acid

ChemComp-GOL:
GLYCEROL

ChemComp-HIO:
N-HYDROXY-N-ISOPROPYLOXAMIC ACID

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • staphylococcus aureus (bacteria)
KeywordsISOMERASE / Ketol-acid reductisomerase / Reductoisomerase / Complex / Inhibitor / IpOHA

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