2HBS

THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S

Summary for 2HBS

• Entry DOI: 10.2210/pdb2hbs/pdb
• Descriptor: HEMOGLOBIN S (DEOXY), ALPHA CHAIN, HEMOGLOBIN S (DEOXY), BETA CHAIN, PROTOPORPHYRIN IX CONTAINING FE, ... (4 entities in total)
• Functional Keywords: oxygen transport, hemoglobin
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 8
• Total formula weight: 128974.17

Authors

Harrington, D.J.,Adachi, K.,Royer Junior, W.E. (deposition date: 1997-05-06, release date: 1997-07-23, Last modification date: 2024-02-14)

Primary citation

Harrington, D.J.,Adachi, K.,Royer Jr., W.E.
The high resolution crystal structure of deoxyhemoglobin S.
J.Mol.Biol., 272:398-407, 1997

PubMed Abstract: We have refined the crystal structure of deoxyhemoglobin S (beta Glu6-->Val) at 2.05 A resolution to an R-factor of 16.5% (free R=21. 5%) using crystals isomorphous to those originally grown by Wishner and Love. A predominant feature of this crystal form is a double strand of hemoglobin tetramers that has been shown by a variety of techniques to be the fundamental building block of the intracellular sickle cell fiber. The double strand is stabilized by lateral contacts involving the mutant valine interacting with a pocket between the E and F helices on another tetramer. The new structure reveals some marked differences from the previously refined 3.0 A resolution structure, including several residues in the lateral contact which have shifted by as much as 3.5 A. The lateral contact includes, in addition to the hydrophobic interactions involving the mutant valine, hydrophilic interactions and bridging water molecules at the periphery of the contact. This structure provides further insights into hemoglobin polymerization and may be useful for the structure-based design of therapeutic agents to treat sickle cell disease.

PubMed: 9325099
DOI: 10.1006/jmbi.1997.1253

Experimental method

X-RAY DIFFRACTION (2.05 Å)