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TitleNovel small molecule modulators of human hemoglobin oxygen binding identified by small molecule microarray screening
Journal, issue, pagesTo be Published
Publish dateJun 14, 2013 (structure data deposition date)
AuthorsSafo, M.K. / Chowdhury, N.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4l7y:
Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-MH0:
Mesoheme

ChemComp-IRL:
(2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name)

ChemComp-DG2:
(2R)-2,3-diphosphoglyceric acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXYGEN TRANSPORT / alpha and beta subunits / heme

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