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Structure paper

TitleFactors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 5841-, Year 2012
Publish dateAug 2, 2011 (structure data deposition date)
AuthorsBedingfield, P.T.P. / Cowen, D. / Acklam, P.A. / Cunningham, F. / Parsons, M.R. / Mcconkey, G.A. / Fishwick, C.W.G. / Johnson, A.P.
External linksJ. Med. Chem. / PubMed:22621375
MethodsX-ray diffraction
Resolution1.55 - 1.6 Å
Structure data

PDB-3zws:
Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3zwt:
Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-ORO:
OROTIC ACID

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-AVQ:
2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-KFZ:
2-{[(2,5-DICHLOROPHENYL)METHYL]SULFANYL}-5-ETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE

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