Structure of PDB 2hty Chain D Binding Site BS01

Receptor Information
>2hty Chain D (length=385) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKLAGNSSLCPINGWAVYSKDNSIRIGSKGDVFVIREPFISCSHLECRTF
FLTQGALLNDKHSNGTVKDRSPHRTLMSCPVGEAPSPYNSRFESVAWSAS
ACHDGTSWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECA
CVNGSCFTVMTDGPSNGQASYKIFKMEKGKVVKSVELDAPNYHYEECSCY
PNAGEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGVFGDNPRPNDGT
GSCGPVSSNGAYGVKGFSFKYGNGVWIGRTKSTNSRSGFEMIWDPNGWTE
TDSSFSVKQDIVAITDWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPK
ESTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2hty Chain D Residue 994 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hty The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D293 G297 D324 G345 Y347 G348
Binding residue
(residue number reindexed from 1)		D212 G216 D242 G260 Y262 G263
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D151 E277 R292 R371 Y406
Catalytic site (residue number reindexed from 1) D69 E196 R211 R286 Y320
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
GO:0046761 viral budding from plasma membrane
Cellular Component
GO:0016020 membrane
GO:0033644 host cell membrane
GO:0055036 virion membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hty, PDBe:2hty, PDBj:2hty
PDBsum2hty
PubMed16915235
UniProtQ6DPL2|NRAM_I04A1 Neuraminidase (Gene Name=NA)

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