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