Structure of PDB 4gzt Chain D Binding Site BS04

Receptor Information
>4gzt Chain D (length=388) Species: 119210 (H3N2 subtype) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYRNWSKPQCDITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQ
FALGQGTTLNNVHSNNTVRGRTPYRTLLMNELGVPFHLGTKQVCIAWSSS
SCHDGKAWLHVCITGDDKNATASFIYNGRLVDSVVSWSKEILRTQESECV
CINGTCTVVMTDGSASGKADTKILFIEEGKIVHTSTLSGSAQHVEECSCY
PRYPGVRCVCRDNWKGSNRPIVDINIKDHSIVSSYVCSGLVGDTPRKNDS
SSSSHCLDPNNEEGGHGVKGWAFDDGNDVWMGRTINETSRLGYETFKVIE
GWSNPKSKLQINRQVIVDRGNRSGYSGIFSVEGKSCINRCFYVELIRGRK
EETEVLWTSNSIVVFCGTSGTYGTGSWPDGADLNLMPI
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 chain4gzt Chain D Residue 513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gzt Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		D293 G297 D324 G345 H347
Binding residue
(residue number reindexed from 1)		D212 G216 D243 G264 H266
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G151 E277 R292 R371 Y406
Catalytic site (residue number reindexed from 1) G70 E196 R211 R290 Y325
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0046761 viral budding from plasma membrane
Cellular Component
GO:0016020 membrane
GO:0020002 host cell plasma membrane
GO:0033644 host cell membrane
GO:0044423 virion component
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:4gzt, PDBe:4gzt, PDBj:4gzt
PDBsum4gzt
PubMed23015718
UniProtK7N5N3

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