1k0y Summary

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X-ray Crystallographic Analyses of Symmetrical Allosteric Effectors of Hemoglobin. Compounds Designed to Link Primary and Secondary Binding Sites

The structure was published by Safo, M.K., Boyiri, T., Burnett, J.C., et al., Moure, C.M., Joshi, G.S., and Abraham, D.J., in 2002 in a paper entitled "X-ray crystallographic analyses of symmetrical allosteric effectors of hemoglobin: compounds designed to link primary and secondary binding sites." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.87 Å and deposited in 2001.

The experimental data on which the structure is based was also deposited.

This PDB entry contains a complex of 2 biomacromolecules, namely hemoglobin alpha chain and hemoglobin beta chain.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule most likely forms heterotetramers.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A hemoglobin alpha chain P69905 (2-142) (HBA_HUMAN)search Homo sapienssearch 98% 141 100%
C hemoglobin alpha chain P69905 (2-142) (HBA_HUMAN)search Homo sapienssearch 98% 141 100%
B hemoglobin beta chain P68871 (2-147) (HBB_HUMAN)search Homo sapienssearch 98% 146 100%
D hemoglobin beta chain P68871 (2-147) (HBB_HUMAN)search Homo sapienssearch 98% 146 100%


This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P69905 (2 - 142) hemoglobin alpha chain Homo sapiens
P68871 (2 - 147) hemoglobin beta chain Homo sapiens

Chain Structural classification (SCOP) Structural classification (CATH) Sequence family (Pfam)
A, C (P69905) Globinssearch Globinssearch PF00042: Globinsearch
B, D (P68871) Globinssearch Globinssearch PF00042: Globinsearch

Chain ID Biological process (GO) Molecular function (GO) Cellular component (GO)
A, C (P69905) oxygen transportsearch protein heterooligomerizationsearch positive regulation of cell deathsearch response to hydrogen peroxidesearch bicarbonate transportsearch receptor-mediated endocytosissearch hydrogen peroxide catabolic processsearch transportsearch oxidation-reduction processsearch small molecule metabolic processsearch protein bindingsearch heme bindingsearch haptoglobin bindingsearch oxygen bindingsearch iron ion bindingsearch metal ion bindingsearch peroxidase activitysearch oxygen transporter activitysearch cytosolsearch extracellular regionsearch hemoglobin complexsearch extracellular vesicular exosomesearch membranesearch endocytic vesicle lumensearch haptoglobin-hemoglobin complexsearch blood microparticlesearch cytosolic small ribosomal subunitsearch
B, D (P68871) oxygen transportsearch bicarbonate transportsearch nitric oxide transportsearch regulation of blood pressuresearch positive regulation of nitric oxide biosynthetic processsearch platelet aggregationsearch response to hydrogen peroxidesearch regulation of blood vessel sizesearch blood coagulationsearch transportsearch protein heterooligomerizationsearch positive regulation of cell deathsearch renal absorptionsearch oxidation-reduction processsearch hydrogen peroxide catabolic processsearch receptor-mediated endocytosissearch small molecule metabolic processsearch iron ion bindingsearch oxygen transporter activitysearch protein bindingsearch metal ion bindingsearch heme bindingsearch oxygen bindingsearch haptoglobin bindingsearch peroxidase activitysearch hemoglobin bindingsearch extracellular vesicular exosomesearch cytosolsearch extracellular regionsearch endocytic vesicle lumensearch blood microparticlesearch hemoglobin complexsearch haptoglobin-hemoglobin complexsearch

Chain InterPro annotation
A, C Globinsearch Haemoglobin, alphasearch Haemoglobin, pisearch Globin-likesearch Globin, structural domainsearch
B, D Globinsearch Haemoglobin, betasearch Globin-likesearch Globin, structural domainsearch