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4d8s, resolution 2.40Å ()
Ligands: ,
Activity: Exo-alpha-sialidase, with EC number
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml

Influenza NA in complex with antiviral compound

Publication Abstract from PubMed

A series of C3 O-functionalized 2-acetamido-2-deoxy-Delta(4)-beta-D-glucuronides were synthesized to explore noncharge interactions in subsite 2 of the influenza virus sialidase active site. In complex with A/N8 sialidase, the parent compound (C3 OH) inverts its solution conformation to bind with all substituents well positioned in the active site. The parent compound inhibits influenza virus sialidase at a sub-muM level; the introduction of small alkyl substituents or an acetyl group at C3 is also tolerated.

Exploring the interactions of unsaturated glucuronides with influenza virus sialidase., Bhatt B, Bohm R, Kerry PS, Dyason JC, Russell RJ, Thomson RJ, von Itzstein M, J Med Chem. 2012 Oct 25;55(20):8963-8. doi: 10.1021/jm301145k. Epub 2012 Oct 11. PMID:23017008

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

4d8s is a 1 chain structure with sequence from Influenza a virus. Full crystallographic information is available from OCA.

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