Structure of PDB 2aep Chain A Binding Site BS02

Receptor Information

>2aep Chain A (length=388) Species: 228928 (Influenza A virus (A/Memphis/31/98(H3N2)))

AEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQ
FALGQGTTLNNRHSNDTVHDRTPYRTLLMNELGVPFHLGTKQVCIAWSSS
SCHDGKAWLHVCVTGHDENATASFIYDGRLVDSIGSWSKKILRTQESECV
CINGTCTVVMTDGSASGRADTKILFIEEGKIVHISPLSGSAQHVEECSCY
PRYPGVRCVCRDNWKGSNRPIVDINVKDYSIVSSYVCSGLVGDTPRKNDS
SSSSHCLNPNNEEGGHGVKGWAFDDGNDVWMGRTISEKFRSGYETFKVIE
GWSKPNSKLQINRQVIVDRGNRSGYSGIFSVEGKSCINRCFYVELIRGRK
QETEVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI

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: 2aep Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2aep An Epidemiologically Significant Epitope of a 1998 Human Influenza Virus Neuraminidase Forms a Highly Hydrated Interface in the NA-Antibody Complex
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D293 G297 D324 G345 H347
• Binding residue (residue number reindexed from 1): D212 G216 D243 G264 H266
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D151 E277 R292 R371 Y406
• Catalytic site (residue number reindexed from 1): D70 E196 R211 R290 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
• 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:2aep, PDBe:2aep, PDBj:2aep
• PDBsum: 2aep
• PubMed: 16384583
• UniProt: Q9DL16