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TitleIdentification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 13, Page 6353-6370, Year 2015
Publish dateOct 28, 2014 (structure data deposition date)
AuthorsOmar, A.M. / Mahran, M.A. / Ghatge, M.S. / Chowdhury, N. / Bamane, F.H. / El-Araby, M.E. / Abdulmalik, O. / Safo, M.K.
External linksOrg. Biomol. Chem. / PubMed:25974708
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-4rol:
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4rom:
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-3U7:
4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-3U8:
4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid

Source
  • homo sapiens (human)
KeywordsOXYGEN TRANSPORT / allosteric / sickle cell disease / hemoglobin / high-affinity / low-affinity / oxygen / oxygen carrying

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