6BR6
N2 neuraminidase in complex with a novel antiviral compound
Summary for 6BR6
| Entry DOI | 10.2210/pdb6br6/pdb |
| Related | 6BR5 |
| Descriptor | Neuraminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total) |
| Functional Keywords | complex, hydrolase |
| Biological source | Influenza A virus (A/Perth/16/2009(H3N2)) |
| Total number of polymer chains | 1 |
| Total formula weight | 44607.19 |
| Authors | Li, L.H.,Ve, T.,Pascolutti, M.,Hadhazi, A.,Bailly, B.,Thomson, R.J.,Gao, G.F.,von Itzstein, M. (deposition date: 2017-11-30, release date: 2018-03-07, Last modification date: 2024-10-09) |
| Primary citation | Hadhazi, A.,Li, L.,Bailly, B.,Maggioni, A.,Martin, G.,Dirr, L.,Dyason, J.C.,Thomson, R.J.,Gao, G.F.,Borbas, A.,Ve, T.,Pascolutti, M.,von Itzstein, M. A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13:785-789, 2018 Cited by PubMed Abstract: Influenza virus infection continues to cause significant, often severe, respiratory illness worldwide. A validated target for the development of anti-influenza agents is the virus surface protein sialidase. In the current study, we have discovered a highly potent inhibitor of influenza virus sialidase, based on a novel sialosyl sulfonate template. The synthesised 3-guanidino sialosyl α-sulfonate, a sulfonozanamivir analogue, inhibits viral replication in vitro at the nanomolar level, comparable to that of the anti-influenza drug zanamivir. Using protein X-ray crystallography we show that the sialosyl α-sulfonate template binds within the sialidase active site in a C chair conformation. The C1-sulfonate moiety forms crucial and strong-binding interactions with the active site's triarginyl cluster, while the 3-guanidino moiety interacts significantly with conserved active site residues. This sulfonozanamivir analogue provides a new direction in anti-influenza virus drug development. PubMed: 29453852DOI: 10.1002/cmdc.201800092 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.03983884352 Å) |
Structure validation
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