Structure of PDB 3o9j Chain A Binding Site BS02

Receptor Information

>3o9j Chain A (length=387) Species: 385580 (Influenza A virus (A/duck/Ukraine/1/1963(H3N8)))

TYMNNTEAICDAKGFAPFSKDNGIRIGSRGHIFVIREPFVSCSPIECRTF
FLTQGSLLNDKHSNGTVKDRSPFRTLMSVEVGQSPNVYQARFEAVAWSAT
ACHDGKKWMTVGVTGPDSKAVAVIHYGGVPTDVVNSWAGDILRTQESSCT
CIQGDCYWVMTDGPANRQAQYRIYKANQGRIIGQTDISFNGGHIEECSCY
PNDGKVECVCRDNWTGTNRPVLVISPDLSYRVGYLCAGIPSDTPRGEDTQ
FTGSCTSPMGNQGYGVKGFGFRQGTDVWMGRTISRTSRSGFEILRIKNGW
TQTSKEQIRKQVVVDNLNWSGYSGSFTLPVELSGKDCLVPCFWVEMIRGK
PEEKTIWTSSSSIVMCGVDYEVADWSWHDGAILPFDI

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: 3o9j Chain A Residue 995

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3o9j Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
• Resolution: 2.0002 Å
• Binding residue (original residue number in PDB): D295 G299 D326 Y352
• Binding residue (residue number reindexed from 1): D212 G216 D242 Y264
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D151 E279 R294 R376 Y411
• Catalytic site (residue number reindexed from 1): D69 E196 R211 R288 Y322
• 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:3o9j, PDBe:3o9j, PDBj:3o9j
• PDBsum: 3o9j
• PubMed: 21081911
• UniProt: Q07599|NRAM_I63A3 Neuraminidase (Gene Name=NA)