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TitleA Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Journal, issue, pagesMol. Pharm., Vol. 15, Page 1954-1963, Year 2018
Publish dateDec 15, 2017 (structure data deposition date)
AuthorsNakagawa, A. / Ferrari, M. / Schleifer, G. / Cooper, M.K. / Liu, C. / Yu, B. / Berra, L. / Klings, E.S. / Safo, R.S. / Chen, Q. ...Nakagawa, A. / Ferrari, M. / Schleifer, G. / Cooper, M.K. / Liu, C. / Yu, B. / Berra, L. / Klings, E.S. / Safo, R.S. / Chen, Q. / Musayev, F.N. / Safo, M.K. / Abdulmalik, O. / Bloch, D.B. / Zapol, W.M.
External linksMol. Pharm. / PubMed:29634905
MethodsX-ray diffraction
Resolution1.7 - 2 Å
Structure data

PDB-6bwp:
Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6bwu:
Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-EBJ:
1H-1,2,3-triazole-5-thiol

ChemComp-HOH:
WATER

ChemComp-CMO:
CARBON MONOXIDE

Source
  • homo sapiens (human)
KeywordsOXYGEN TRANSPORT / Hemoglobin / Antisickling / Allosteric effector / TD3

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