1inf

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Image:1inf.gif

1inf, resolution 2.4Å

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INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE COMPLEXED WITH BANA113 INHIBITOR

Overview

Influenza virus sialidase is a surface enzyme that is essential for, infection of the virus. The catalytic site is highly conserved among all, known influenza variants, suggesting that this protein is a suitable, target for drug intervention. The most potent known inhibitors are analogs, of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (Neu5Ac2en), particularly, the 4-guanidino derivative (4-guanidino-Neu5Ac2en). We utilized the, benzene ring of 4-(N-acetylamino)benzoic acids as a cyclic template to, substitute for the dihydropyran ring of Neu5Ac2en. In this study several, 3-(N-acylamino) derivatives were prepared as potential replacements for, the glycerol side chain of Neu5Ac2en, and some were found to interact with, the same binding subsite of sialidase. Of greater significance was ... [(full description)]

About this Structure

1INF is a [Single protein] structure of sequence from [Influenza b virus] with NAG, CA and ST4 as [ligands]. Active as [Exo-alpha-sialidase], with EC number [3.2.1.18]. Structure known Active Site: CAT. Full crystallographic information is available from [OCA].

Reference

Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction., Singh S, Jedrzejas MJ, Air GM, Luo M, Laver WG, Brouillette WJ, J Med Chem. 1995 Aug 18;38(17):3217-25. PMID:7650674

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