4DGR

Influenza Subtype 9 Neuraminidase Benzoic Acid Inhibitor Complex

Summary for 4DGR

• Entry DOI: 10.2210/pdb4dgr/pdb
• Descriptor: Neuraminidase, POTASSIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
• Functional Keywords: inhibitor complex, glycan structure, neuraminidase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Influenza A virus (A/tern/Australia/G70C/1975(H11N9))
• Cellular location: Virion membrane : P03472
• Total number of polymer chains: 1
• Total formula weight: 47720.57

Authors

Venkatramani, L.,Johnson, E.,Kolavi, G.,Air, G.M.,Brouillette, W.,Mooers, B.H.M. (deposition date: 2012-01-26, release date: 2012-05-16, Last modification date: 2024-11-06)

Primary citation

Venkatramani, L.,Johnson, E.S.,Kolavi, G.,Air, G.M.,Brouillette, W.J.,Mooers, B.H.
Crystal structure of a new benzoic acid inhibitor of influenza neuraminidase bound with a new tilt induced by overpacking sub-site C6.
Bmc Struct.Biol., 12:7-7, 2012

PubMed Abstract: Influenza neuraminidase (NA) is an important target for antiviral inhibitors since its active site is highly conserved such that inhibitors can be cross-reactive against multiple types and subtypes of influenza. Here, we discuss the crystal structure of neuraminidase subtype N9 complexed with a new benzoic acid based inhibitor (2) that was designed to add contacts by overpacking one side of the active site pocket. Inhibitor 2 uses benzoic acid to mimic the pyranose ring, a bis-(hydroxymethyl)-substituted 2-pyrrolidinone ring in place of the N-acetyl group of the sialic acid, and a branched aliphatic structure to fill the sialic acid C6 subsite.

PubMed: 22559154
DOI: 10.1186/1472-6807-12-7

Experimental method

X-RAY DIFFRACTION (1.551 Å)