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2hbs
From Proteopedia
| 2hbs, resolution 2.05Å () | |||||||||
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| Sites: | , , , , , , and | ||||||||
| Ligands: | |||||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S
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.
The high resolution crystal structure of deoxyhemoglobin S., Harrington DJ, Adachi K, Royer WE Jr, J Mol Biol. 1997 Sep 26;272(3):398-407. PMID:9325099
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
2HBS is a 8 chains structure with sequences from Homo sapiens. The May 2003 RCSB PDB Molecule of the Month feature on Hemoglobin by Shuchismita Dutta and David S. Goodsell is 10.2210/rcsb_pdb/mom_2003_5. Full crystallographic information is available from OCA.
Reference
- Harrington DJ, Adachi K, Royer WE Jr. The high resolution crystal structure of deoxyhemoglobin S. J Mol Biol. 1997 Sep 26;272(3):398-407. PMID:9325099 doi:10.1006/jmbi.1997.1253
Page seeded by OCA on Thu Jan 21 09:58:50 2010
