Structure of PDB 6hp0 Chain D Binding Site BS01

Receptor Information

>6hp0 Chain D (length=387) Species: 649885 (Influenza A virus (A/Texas/17/2009(H1N1)))

SVKLAGNSSLCPVSGWAIYSKDNSVRIGSKGDVFVIREPFISCSPLECRT
FFLTQGALLNDKHSNGTIKDRSPYRTLMSCPIGEVPSPYNSRFESVAWSA
SACHDGINWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESEC
ACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSC
YPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDK
TGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWT
GTDNNFSIKQDIVGINEWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRP
KENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTID

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: 6hp0 Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hp0 Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
• Resolution: 1.88 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:6hp0, PDBe:6hp0, PDBj:6hp0
• PDBsum: 6hp0
• PubMed: 31128993
• UniProt: C6KP13