Structure of PDB 4mza Chain B Binding Site BS01

Receptor Information
>4mza Chain B (length=437) Species: 11217 (Human parainfluenza 3 virus (strain NIH 47885)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVPPQRITHDVGIKPLNPDDFWRCTSGLPSLMKTPKIRLMPGPGLLAMPT
TVDGCVRTPSLVINDLIYAYTSNLITRGCQDIGKSYQVLQIGIITVNSDL
VPDLNPRISHTFNINDNRKSCSLALLNTDVYQLCSTPKVDERSDYASSGI
EDIVLDIVNHDGSISTTRFKNNNISFDQPYAALYPSVGPGIYYKGKIIFL
GYGGLEHPINENAICNTTGCPGKTQRDCNQASHSPWFSDRRMVNSIIVVD
KGLNSIPKLKVWTISMRQNYWGSEGRLLLLGNKIYIYTRSTSWHSKLQLG
IIDITDYSDIRIKWTWHNVLSRPGNNECPWGHSCPDGCITGVYTDAYPLN
PTGSIVSSVILDSQKSRVNPVITYSTSTERVNELAIRNKTLSAGYTTTSC
ITHYNKGYCFHIVEINHKSLDTFQPMLFKTEIPKSCS
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 chain4mza Chain B Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mza Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo.
Resolution1.653 Å
Binding residue
(original residue number in PDB)		D279 S282 G284 A316
Binding residue
(residue number reindexed from 1)		D144 S147 G149 A181
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019058 viral life cycle
Cellular Component
GO:0019031 viral envelope

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4mza, PDBe:4mza, PDBj:4mza
PDBsum4mza
PubMed24149514
UniProtP08492|HN_PI3H4 Hemagglutinin-neuraminidase (Gene Name=HN)

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