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4ks1

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4ks1, resolution 2.20Å ()
Ligands: , ,
Gene: NA (Influenza A virus (A/duck/Ukraine/1/1963(H3N8)))
Related: 4ks2, 4ks3, 4ks4, 4ks5


Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml


Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid

Publication Abstract from PubMed

The influenza virus neuraminidase (NA) is essential for the virus life cycle. The rise of resistance mutations against current antiviral therapies has increased the need for the development of novel inhibitors. Recent efforts have targeted a cavity adjacent to the catalytic site (the 150-cavity) in addition to the primary catalytic subsite in order to increase specificity and reduce the likelihood of resistance. This study details structural and in vitro analyses of a class of inhibitors that bind uniquely in both subsites. Crystal structures of three inhibitors show occupation of the 150-cavity in two distinct and novel binding modes. We believe these are the first nanomolar inhibitors of NA to be characterized in this way. Furthermore, we show that one inhibitor, binding within the catalytic site, offers reduced susceptibility to known resistance mutations via increased flexibility of a pendant pentyloxy group and the ability to pivot about a strong hydrogen-bonding network.

Structural basis for a class of nanomolar influenza A neuraminidase inhibitors., Kerry PS, Mohan S, Russell RJ, Bance N, Niikura M, Pinto BM, Sci Rep. 2013 Oct 16;3:2871. doi: 10.1038/srep02871. PMID:24129600

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

About this Structure

4ks1 is a 1 chain structure with sequence from Influenza a virus (a/duck/ukraine/1/1963(h3n8)). Full crystallographic information is available from OCA.

Reference

  • Kerry PS, Mohan S, Russell RJ, Bance N, Niikura M, Pinto BM. Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep. 2013 Oct 16;3:2871. doi: 10.1038/srep02871. PMID:24129600 doi:http://dx.doi.org/10.1038/srep02871

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