Structure of PDB 4xjr Chain A Binding Site BS01

Receptor Information

>4xjr Chain A (length=429) Species: 11216 (Human respirovirus 3)

RITHDVGIKPLNPDDFWRCTSGLPSLMKTPKIRLMPGPGLLAMPTTVDGC
VRTPSLVINDLIYAYTSNLITRGCQDIGKSYQVLQIGIITVNVPDLNPRI
SHTFNINDNRKSCSLALLNTDVYQLCSTPKVDERSDYASSGIEDIVLDIV
NHDGSISTTRFKNNNISFDQPYAALYPSVGPGIYYKGKIIFLGYGGLEHP
INENAICNTTGCPGKTQRDCNQASHSPWFSDRRMVNSIIVVDKGLNSIPK
LKVWTISMRQNYWGSEGRLLLLGNKIYIYTRSTSWHSKLQLGIIDITDYS
DIRIKWTWHNVLSRPGNNECPWGHSCPDGCITGVYTDAYPLNPTGSIVSS
VILDSQKSRVNPVITYSTATERVNELAIRNKTLSAGYTTTSCITHYNKGY
CFHIVEINHKSLDTFQPMLFKTEIPKSCS

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: 4xjr Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xjr The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): D279 S282 G284 A316
• Binding residue (residue number reindexed from 1): D136 S139 G141 A173
• 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:4xjr, PDBe:4xjr, PDBj:4xjr
• PDBsum: 4xjr
• PubMed: 25676091
• UniProt: P08492|HN_PI3H4 Hemagglutinin-neuraminidase (Gene Name=HN)