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Structure paper

TitleMirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 55, Page 13485-13489, Year 2016
Publish dateSep 10, 2015 (structure data deposition date)
AuthorsBisson, C. / Britton, K.L. / Sedelnikova, S.E. / Rodgers, H.F. / Eadsforth, T.C. / Viner, R.C. / Hawkes, T.R. / Baker, P.J. / Rice, D.W.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:27717128
MethodsX-ray diffraction
Resolution1.1 - 1.8 Å
Structure data

PDB-5dnl:
Crystal structure of IGPD from Pyrococcus furiosus in complex with (S)-C348
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-5dnx:
Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5ekw:
A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-5el9:
A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-5elw:
A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-5DL:
[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid

ChemComp-HOH:
WATER

ChemComp-5LD:
[(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-CL:
Unknown entry

Source
  • pyrococcus furiosus (archaea)
  • arabidopsis thaliana (thale cress)
KeywordsLYASE / Inhibitor / Complex / Dehydratase / Cytoplasmic / Herbicide development / Histidine biosynthesis / Inhibitor complex / Herbicide discovery

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