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Structure paper

TitleComparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Journal, issue, pagesPlos One, Vol. 9, Page e102300-e102300, Year 2014
Publish dateApr 17, 2013 (structure data deposition date)
AuthorsAguirre, C. / Brink, T.T. / Guichou, J.F. / Cala, O. / Krimm, I.
External linksPlos One / PubMed:25025339
MethodsX-ray diffraction
Resolution1.47 - 2.3 Å
Structure data

PDB-4k7i:
HUMAN PEROXIREDOXIN 5 with a fragment
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-4k7n:
HUMAN PEROXIREDOXIN 5 with a fragment
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4k7o:
HUMAN PEROXIREDOXIN 5 with a fragment
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-4mmm:
Human Pdrx5 complex with a ligand BP7
Method: X-RAY DIFFRACTION / Resolution: 1.47 Å

Chemicals

ChemComp-CAQ:
CATECHOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-MCT:
4-METHYLCATECHOL

ChemComp-EKZ:
4-tert-butylbenzene-1,2-diol

ChemComp-BP7:
1,1'-BIPHENYL-3,4-DIOL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / enzyme / cytosol

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