Structure of PDB 4b7r Chain A Binding Site BS02

Receptor Information

>4b7r Chain A (length=387) Species: 641809 (Influenza A virus (A/California/07/2009(H1N1)))

VKLAGNSSLCPVSGWAIYSKDNSVRIGSKGDVFVIREPFISCSPLECRTF
FLTQGALLNDKHSNGTIKDRSPYRTLMSCPIGEVPSPYNSRFESVAWSAS
ACHDGINWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECA
CVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSCY
PDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDKT
GSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWTG
TDNNFSIKQDIVGINEWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPK
ENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTIDK

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: 4b7r Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b7r H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D376 N378 D384 N386
• Binding residue (residue number reindexed from 1): D294 N296 D302 N304
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D151 E278 R293 R368 Y402
• Catalytic site (residue number reindexed from 1): D69 E196 R211 R286 Y320
• 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:4b7r, PDBe:4b7r, PDBj:4b7r
• PDBsum: 4b7r
• PubMed: 23028314
• UniProt: C7FH46