1nej Summary

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Crystalline Human Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Exhibits The R2 Quaternary State At Neutral pH In The Presence Of Polyethylene Glycol: The 2.1 Angstrom Resolution Crystal Structure

The structure was published by Patskovska, L.N., Patskovsky, Y.V., Almo, S.C., and Hirsch, R.E., in 2005 in a paper entitled "COHbC and COHbS crystallize in the R2 quaternary state at neutral pH in the presence of PEG 4000." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.1 Å and deposited in 2002.

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

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