Structure of PDB 5hug Chain A Binding Site BS01

Receptor Information

>5hug Chain A (length=388) Species: 1609053 (Influenza A virus (A/American green-winged teal/Washington/195750/2014(H5N1)))

SVALAGNSSLCPISGWAIYSKDNGIRIGSKGDVFVIREPFISCSHLECRT
FFLTQGALLNDKHSNGTVKDRSPYRTLMSCPVGEAPSPYNSRFESVAWSA
SACHDGISWLTIGISGPDNGAVAVLKYNGIITDTIKSWRSNILRTQESEC
ACINGSCFTIMTDGPSNGQASYKIFKVEKGKVVKSVELNAPNYHYEECSC
YPDASEVMCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGVFGDNPRPNDG
TGSCGPVSSNGAYGVKGFSFKYGNGVWIGRTKSTSSRSGFEMIWDPNGWT
ETDSSFSVKQEIVAITDWSGYSGSFVQHPELTGLDCMRPCFWVELIRGRP
KENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTIDK

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: 5hug Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hug Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): D379 N381 D387 S389
• Binding residue (residue number reindexed from 1): D295 N297 D303 S305
• 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 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:5hug, PDBe:5hug, PDBj:5hug
• PDBsum: 5hug
• PubMed: 27053557
• UniProt: A0A0C5BL75