Structure of PDB 2htv Chain B Binding Site BS01

Receptor Information

>2htv Chain B (length=388) Species: 11320 (Influenza A virus)

VIHYSSGKDLCPVKGWAPLSKDNGIRIGSRGEVFVIREPFISCSINECRT
FFLTQGALLNDKHSNGTVKDRSPFRTLMSCPIGVAPSPSNSRFESVAWSA
TACSDGPGWLTIGITGPDATAVAVLKYNGIITDTLKSWKGNIMRTQESEC
VCQDEFCYTLITDGPSDAQAFYKILKIKKGKIVSVKDVDAPGFHFEECSC
YPSGENVECVCRDNWRGSNRPWIRFNSDLDYQIGYVCSGVFGDNPRPMDS
TGSCNSPINNGKGRYGVKGFSFRYGDGVWIGRTKSLESRSGFEMVWDANG
WVSTDKDSNGVQDIIDNDNWSGYSGSFSIRGETTGRNCTVPCFWVEMIRG
QPKEKTIWTSGSSIAFCGVNSDTTGWSWPDGALLPFDI

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: 2htv Chain B Residue 993

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2htv The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D293 G297 D324 G345 R346 Y347
• Binding residue (residue number reindexed from 1): D213 G217 D243 G263 R264 Y265
• 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 R289 Y323
• 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

Cellular Component

• GO:0016020 membrane
• GO:0033644 host cell membrane
• GO:0055036 virion membrane

External links

• PDB: RCSB:2htv, PDBe:2htv, PDBj:2htv
• PDBsum: 2htv
• PubMed: 16915235
• UniProt: Q6XV46