Structure of PDB 4mza Chain A Binding Site BS01

Receptor Information
>4mza Chain A (length=432) 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]
RITHDVGIKPLNPDDFWRCTSGLPSLMKTPKIRLMPGPGLLAMPTTVDGC
VRTPSLVINDLIYAYTSNLITRGCQDIGKSYQVLQIGIITVNSDLVPDLN
PRISHTFNINDNRKSCSLALLNTDVYQLCSTPKVDERSDYASSGIEDIVL
DIVNHDGSISTTRFKNNNISFDQPYAALYPSVGPGIYYKGKIIFLGYGGL
EHPINENAICNTTGCPGKTQRDCNQASHSPWFSDRRMVNSIIVVDKGLNS
IPKLKVWTISMRQNYWGSEGRLLLLGNKIYIYTRSTSWHSKLQLGIIDIT
DYSDIRIKWTWHNVLSRPGNNECPWGHSCPDGCITGVYTDAYPLNPTGSI
VSSVILDSQKSRVNPVITYSTSTERVNELAIRNKTLSAGYTTTSCITHYN
KGYCFHIVEINHKSLDTFQPMLFKTEIPKSCS
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4mza Chain C Residue 8 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		W451 T513
Binding residue
(residue number reindexed from 1)		W311 T373
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
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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