Structure of PDB 4qn4 Chain A Binding Site BS01

Receptor Information

>4qn4 Chain A (length=389) Species: 215864 (Influenza A virus (A/chicken/Nanchang/7-010/2000(H3N6)))

GTFLNLTKPLCEVSSWHILSKDNAIRIGEDAHILVTREPYLSCDPQGCRM
FALSQGTTLRGRHANGTIHDRSPFRALISWEMGQAPSPYNVRVECIGWSS
TSCHDGISRMSICMSGPNNNASAVVWYGGRPVTEIPSWAGNILRTQESEC
VCHKGICPVVMTDGPANNRAATKIIYFKEGKIQKIEELAGNAQHIEECSC
YGAVGVIKCVCRDNWKGANRPVITIDPEMMTHTSKYLCSKILTDTSRPND
PTNGNCDAPITGGSPDPGVKGFAFLDGENSWLGRTISKDSRSGYEMLKVP
NAETDTQSGPISHQVIVNNQNWSGYSGAFIDYWANKECFNPCFYVELIRG
RPKESSVLWTSNSIVALCGSKERLGSWSWHDGAEIIYFK

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: 4qn4 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qn4 Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D215 G219 D246 P269
• Binding residue (residue number reindexed from 1): D213 G217 D244 P267
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D72 E199 R214 R293 Y327
• Catalytic site (residue number reindexed from 1): D70 E197 R212 R291 Y325
• Enzyme Commision number: 3.2.1.18: exo-alpha-sialidase.

Gene Ontology

Molecular Function

• GO:0004308 exo-alpha-sialidase activity

Biological Process

• GO:0005975 carbohydrate metabolic process

Cellular Component

• GO:0016020 membrane
• GO:0033644 host cell membrane
• GO:0055036 virion membrane

External links

• PDB: RCSB:4qn4, PDBe:4qn4, PDBj:4qn4
• PDBsum: 4qn4
• PubMed: 24899180
• UniProt: Q2FCL6