Structure of PDB 4qnp Chain A Binding Site BS01

Receptor Information

>4qnp Chain A (length=386) Species: 11320 (Influenza A virus)

SVKLAGNSSLCPVSGWAIYSKDNSVRIGSKGDVFVIREPFISCSPLECRT
FFLTQGALLNDKHSNGTIKDRSPYRTLMSCPIGEVPSPYNSRFESVAWSA
SACHDGINWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESEC
ACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSC
YPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDK
TGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWT
GTDNNFSIKQDIVGINEWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRP
KENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTI

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: 4qnp Chain A Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4qnp Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D294 G298 D324 G342 N344
• Binding residue (residue number reindexed from 1): D213 G217 D243 G261 N263
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D151 E278 R293 R368 Y402
• Catalytic site (residue number reindexed from 1): D70 E197 R212 R287 Y321
• 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:4qnp, PDBe:4qnp, PDBj:4qnp
• PDBsum: 4qnp
• PubMed: 25668439
• UniProt: D5KL82