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Structure of PDB 2htw Chain A Binding Site BS01

Receptor Information >2htw Chain A (length=388) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VIHYSSGKDLCPVKGWAPLSKDNGIRIGSRGEVFVIREPFISCSINECRT FFLTQGALLNDKHSNGTVKDRSPFRTLMSCPIGVAPSPSNSRFESVAWSA TACSDGPGWLTIGITGPDATAVAVLKYNGIITDTLKSWKGNIMRTQESEC VCQDEFCYTLITDGPSDAQAFYKILKIKKGKIVSVKDVDAPGFHFEECSC YPSGENVECVCRDNWRGSNRPWIRFNSDLDYQIGYVCSGVFGDNPRPMDS TGSCNSPINNGKGRYGVKGFSFRYGDGVWIGRTKSLESRSGFEMVWDANG WVSTDKDSNGVQDIIDNDNWSGYSGSFSIRGETTGRNCTVPCFWVEMIRG QPKEKTIWTSGSSIAFCGVNSDTTGWSWPDGALLPFDI

Ligand information Ligand ID DAN InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 InChIKey JINJZWSZQKHCIP-UFGQHTETSA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1 OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)O OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O CACTVS 3.341 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O CACTVS 3.341 CC(=O)N[CH]1[CH](O)C=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O Formula C11 H17 N O8 Name 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID; Neu5Ac2en ChEMBL CHEMBL96712 DrugBank DB03991 ZINC ZINC000004096465 PDB chain 2htw Chain A Residue 1850 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2htw The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design. Resolution 3.5 Å Binding residue (original residue number in PDB) E119 D151 R152 W178 R224 E276 R292 N294 R371 Y406 Binding residue (residue number reindexed from 1) E38 D70 R71 W98 R144 E196 R212 N214 R289 Y323 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) D151 E277 R292 R371 Y406 Catalytic site (residue number reindexed from 1) D70 E197 R212 R289 Y323 Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.

Gene Ontology Molecular Function GO:0004308 exo-alpha-sialidase activity

	Biological Process
GO:0005975	carbohydrate metabolic process

	Cellular Component
GO:0016020	membrane
GO:0033644	host cell membrane
GO:0055036	virion membrane

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