Azidothymidine: crystal structure and possible functional role of the azido group.

Proc Natl Acad Sci U S A

Department of Neurology, University of Washington, Seattle 98195.

Published: December 1987

The crystal and molecular structures of the anti-acquired immunodeficiency syndrome agent 3'-azido-3'-deoxythymidine (AZT) have been determined by x-ray diffraction. There are two crystallographically independent AZT molecules in the crystal asymmetric unit; they have similar conformations and differ primarily in the glycosyl torsion angle. Comparisons with a hydrated thymidylate structure indicate that the azido group does not significantly affect the gross conformational preference of the molecule. The comparisons also suggest possible functional roles for the azido group in enzyme binding.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC299517PMC
http://dx.doi.org/10.1073/pnas.84.23.8239DOI Listing

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