Structure of PDB 5kv9 Chain B Binding Site BS01

Receptor Information

>5kv9 Chain B (length=430) Species: 11216 (Human respirovirus 3)

RITHDVGIKPLNPDDFWRCTSGLPSLMKTPKIRLMPGPGLLAMPTTVDGC
VRTPSLVINDLIYAYTSNLITRGCQDIGKSYQVLQIGIITVNSDLVPDLN
PRISHTFNINDNRKSCSLALLNTDVYQLCSTPKVDERSDYASSGIEDIVL
DIVNHDGSISTTRFKNNNISFDQPYAALYPSVGPGIYYKGKIIFLGYGGL
EHPINENAICNTTGCPGKTQRDCNQASHSPWFSDRRMVNSIIVVDKNSIP
KLKVWTISMRQNYWGSEGRLLLLGNKIYIYTRSTSWHSKLQLGIIDITDY
SDIRIKWTWHNVLSRPGNNECPWGHSCPDGCITGVYTDAYPLNPTGSIVS
SVILDSQKSRVNPVITYSTATERVNELAIRNKTLSAGYTTTSCITHYNKG
YCFHIVEINHKSLDTFQPMLFKTEIPKSCS

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5kv9 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5kv9 The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D279 S282 G284 A316
• Binding residue (residue number reindexed from 1): D139 S142 G144 A176
• Annotation score: 4

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

External links

• PDB: RCSB:5kv9, PDBe:5kv9, PDBj:5kv9
• PDBsum: 5kv9
• PubMed: 28674426
• UniProt: G8G134