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PDBsum entry 4d8s

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Hydrolase PDB id
4d8s
Jmol
Contents
Protein chain
388 a.a.
Ligands
0HX
Metals
_CA
Waters ×89

References listed in PDB file
Key reference
Title Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
Authors B.Bhatt, R.Böhm, P.S.Kerry, J.C.Dyason, R.J.Russell, R.J.Thomson, M.Von itzstein.
Ref. J Med Chem, 2012, 55, 8963-8968. [DOI no: 10.1021/jm301145k]
PubMed id 23017008
DOI number 10.1021/JM301145K
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.
PROCHECK
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 Headers