Structure of PDB 4qn5 Chain B Binding Site BS02

Receptor Information

>4qn5 Chain B (length=394) Species: 352705 (Influenza A virus (A/mallard duck/ALB/60/1976(H12N5)))

PEFLNNTEPLCNVSGFAIVSKDNGIRIGSRGHVFVIREPFVACGPTECRT
FFLTQGALLNDKHSNNTVKDRSPYRALMSVPLGSSPNAYQAKFESVAWSA
TACHDGKKWLAVGISGADDDAYAVIHYGGMPTDVVRSWRKQILRTQESSC
VCMNGNCYWVMTDGPANSQASYKIFKSHEGMVTNEREVSFQGGHIEECSC
YPNLGKVECVCRDNWNGMNRPILIFDEDLDYEVGYLCAGIPTDTPRVQDS
SFTGSCTNAVGGSGTNNYGVKGFGFRQGNSVWAGRTVSISSRSGFEILLI
EDGWIRTSKTIVKKVEVLNNKNWSGYSGAFTIPITMTSKQCLVPCFWLEM
IRGKPEERTSIWTSSSSTVFCGVSSEVPGWSWDDGAILPFDIDK

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: 4qn5 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qn5 Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D213 G217 D243 Y268
• Binding residue (residue number reindexed from 1): D213 G217 D243 Y268
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D70 E197 R212 R292 Y326
• Catalytic site (residue number reindexed from 1): D70 E197 R212 R292 Y326
• 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
• GO:0046761 viral budding from plasma membrane

Cellular Component

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

External links

• PDB: RCSB:4qn5, PDBe:4qn5, PDBj:4qn5
• PDBsum: 4qn5
• PubMed: 24899180
• UniProt: Q20UH7