Structure of PDB 3b7e Chain A Binding Site BS01

Receptor Information
>3b7e Chain A (length=385) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VILTGNSSLCPISGWAIYSKDNGIRIGSKGDVFVIREPFISCSHLECRTF
FLTQGALLNDKHSNGTVKDRSPYRTLMSCPVGEAPSPYNSRFESVAWSAS
ACHDGMGWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECA
CVNGSCFTIMTDGPSNGQASYKILKIEKGKVTKSIELNAPNYHYEECSCY
PDTGKVMCVCRDNWHGSNRPWVSFDQNLDYQIGYICSGVFGDNPRPNDGT
GSCGPVSSNGANGIKGFSFRYDNGVWIGRTKSTSSRSGFEMIWDPNGWTE
TDSSFSVRQDIVAITDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGQPK
ENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFSI
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 chain3b7e Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b7e Structural characterization of the 1918 influenza virus H1N1 neuraminidase
Resolution1.45 Å
Binding residue
(original residue number in PDB)		D379 N381 D387 S389
Binding residue
(residue number reindexed from 1)		D294 N296 D302 S304
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:3b7e, PDBe:3b7e, PDBj:3b7e
PDBsum3b7e
PubMed18715929
UniProtQ9IGQ6|NRAM_I18A0 Neuraminidase (Gene Name=NA)

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