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

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