Structure of PDB 4gzp Chain A Binding Site BS01

Receptor Information

>4gzp Chain A (length=388) Species: 119210 (H3N2 subtype)

AEYRNWSKPQCDITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPDKCYQ
FALGQGTTLNNVHSNNTVRDRTPYRTLLMNELGVPFHLGTKQVCIAWSSS
SCHDGKAWLHVCITGDDKNATASFIYNGRLVDSVVSWSKEILRTQESECV
CINGTCTVVMTDGSASGKADTKILFIEEGKIVHTSTLSGSAQHVEECSCY
PRYPGVRCVCRDNWKGSNRPIVDINIKDHSIVSSYVCSGLVGDTPRKNDS
SSSSHCLDPNNEEGGHGVKGWAFDDGNDVWMGRTINETSRLGYETFKVIE
GWSNPKSKLQINRQVIVDRGNRSGYSGIFSVEGKSCINRCFYVELIRGRK
EETEVLWTSNSIVVFCGTSGTYGTGSWPDGADLNLMPI

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: 4gzp Chain A Residue 510

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gzp Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
• Resolution: 2.3 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
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0046761 viral budding from plasma membrane

Cellular Component

• GO:0016020 membrane
• GO:0020002 host cell plasma membrane
• GO:0033644 host cell membrane
• GO:0044423 virion component
• GO:0055036 virion membrane

External links

• PDB: RCSB:4gzp, PDBe:4gzp, PDBj:4gzp
• PDBsum: 4gzp
• PubMed: 23015718
• UniProt: K7N5N3