4D8S

Influenza NA in complex with antiviral compound

Summary for 4D8S

• Entry DOI: 10.2210/pdb4d8s/pdb
• Descriptor: Neuraminidase, CALCIUM ION, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, ... (4 entities in total)
• Functional Keywords: hydrolase, neuraminidase
• Biological source: Influenza A virus
• Total number of polymer chains: 1
• Total formula weight: 43541.95

Authors

Kerry, P.S.,Russell, R.J.M.R. (deposition date: 2012-01-11, release date: 2013-02-13, Last modification date: 2020-07-29)

Primary citation

Bhatt, B.,Bohm, R.,Kerry, P.S.,Dyason, J.C.,Russell, R.J.,Thomson, R.J.,von Itzstein, M.
Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
J.Med.Chem., 55:8963-8968, 2012

PubMed Abstract: A series of C3 O-functionalized 2-acetamido-2-deoxy-Δ⁴-β-D-glucuronides were synthesized to explore noncharge interactions in subsite 2 of the influenza virus sialidase active site. In complex with A/N8 sialidase, the parent compound (C3 OH) inverts its solution conformation to bind with all substituents well positioned in the active site. The parent compound inhibits influenza virus sialidase at a sub-μM level; the introduction of small alkyl substituents or an acetyl group at C3 is also tolerated.

PubMed: 23017008
DOI: 10.1021/jm301145k

Experimental method

X-RAY DIFFRACTION (2.398 Å)