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

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