Structure of PDB 4wa4 Chain A Binding Site BS02

Receptor Information

>4wa4 Chain A (length=384) Species: 1136533 (Influenza A virus (A/harbor seal/Massachusetts/1/2011(H3N8)))

QFMQNTEALCDVKGFAPFSKDNGIRIGSRGHVFVIREPFVSCSPTECRTF
FLTQGSLLNDKHSNGRSPYRTLMSVEIGQSPNVYQARFEAVAWSATACHD
GKKWMTIGVTGPDAKAVAVVHYGGIPTDVINSWAGDILRTQESSCTCILG
ECYWVMTDGPANRQAQYRAFKAKQGKIIGQVEISFNGGHIEECSCYPNDG
KVECVCRDNWTGTNRPVLVISPDLSYRVGYLCAGLSSDTPRGEDSQFTGS
CTSPVGNQGYGVKGFGFRQGNDVWMGRTISRTSRSGFEILKVRNGWVQTS
KEQIKRQVVVDNLNRSGYSGSFTLPVELTKRDCLVPCFWVEMIRGKPAEK
TIWTSSSSIVMCGVDHEVADWSWHDGAILPFDID

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: 4wa4 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wa4 Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D292 G296 D322 Y344
• Binding residue (residue number reindexed from 1): D208 G212 D238 Y260
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): E276 R291 R368 Y402
• Catalytic site (residue number reindexed from 1): E192 R207 R284 Y318
• 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:4wa4, PDBe:4wa4, PDBj:4wa4
• PDBsum: 4wa4
• PubMed: 25540377
• UniProt: I6NW33