Structure of PDB 6br6 Chain A Binding Site BS01

Receptor Information

>6br6 Chain A (length=387) Species: 654811 (Influenza A virus (A/Perth/16/2009(H3N2)))

EYRNWSKPQCDITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQF
ALGQGTTLNNVHSNNTVRDRTPYRTLLMNELGVPFHLGTKQVCIAWSSSS
CHDGKAWLHVCITGDDKNATASFIYNGRLVDSVVSWSKEILRTQESECVC
INGTCTVVMTDGSASGKADTKILFIEEGKIVHTSTLSGSAQHVEECSCYP
RYPGVRCVCRDNWKGSNRPIVDINIKDHSIVSSYVCSGLVGDTPRKNDSS
SSSHCLDPNNEEGGHGVKGWAFDDGNDVWMGRTISEKSRLGYETFKVIEG
WSNPKSKLQINRQVIVDRGNRSGYSGIFSVEGKSCINRCFYVELIRGRKE
ETEVLWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI

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: 6br6 Chain A Residue 509

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6br6 A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
• Resolution: 2.03984 Å
• Binding residue (original residue number in PDB): D293 G297 D324 G345 H347
• Binding residue (residue number reindexed from 1): D211 G215 D242 G263 H265
• 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

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:6br6, PDBe:6br6, PDBj:6br6
• PDBsum: 6br6
• PubMed: 29453852
• UniProt: E0UY46