7nn9
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(New page: 200px<br /><applet load="7nn9" size="450" color="white" frame="true" align="right" spinBox="true" caption="7nn9, resolution 2.Å" /> '''NATIVE INFLUENZA VIRUS...)
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Revision as of 13:05, 20 November 2007
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NATIVE INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN)
Overview
The three-dimensional X-ray structure of a complex of the potent, neuraminidase inhibitor 4-guanidino-Neu5Ac2en and influenza virus, neuraminidase (Subtype N9) has been obtained utilizing diffraction data to, 1.8 A resolution. The interactions of the inhibitor, solvent water, molecules, and the active site residues have been accurately determined., Six water molecules bound in the native structure have been displaced by, the inhibitor, and the active site residues show no significant, conformational changes on binding. Sialic acid, the natural substrate, binds in a half-chair conformation that is isosteric to the inhibitor. The, conformation of the inhibitor in the active site of the X-ray structure, concurs with that obtained by theoretical calculations and validates the, structure-based design of the inhibitor. Comparison of known, high-resolution structures of neuraminidase subtypes N2, N9, and B shows, good structural conservation of the active site protein atoms, but the, location of the water molecules in the respective active sites is less, conserved. In particular, the environment of the 4-guanidino group of the, inhibitor is strongly conserved and is the basis for the antiviral action, of the inhibitor across all presently known influenza strains. Differences, in the solvent structure in the active site may be related to variation in, the affinities of inhibitors to different subtypes of neuraminidase.
About this Structure
7NN9 is a Single protein structure of sequence from Unidentified influenza virus with NAG and CA as ligands. This structure superseeds the now removed PDB entry 2NN9. Active as Exo-alpha-sialidase, with EC number 3.2.1.18 Full crystallographic information is available from OCA.
Reference
Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase., Varghese JN, Epa VC, Colman PM, Protein Sci. 1995 Jun;4(6):1081-7. PMID:7549872
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