Structure of PDB 3k3a Chain A Binding Site BS01

Receptor Information

>3k3a Chain A (length=389) Species: 343983 (Influenza B virus (B/Perth/211/2001))

PEWTYPRLSCPGSTFQKALLISPHRFGETKGNSAPLIIREPFIACGPKEC
KHFALTHYAAQPGGYYNGTRGDRNKLRHLISVKLGKIPTVENSIFHMAAW
SGSACHDGKEWTYIGVDGPENNALLKIKYGEAYTDTYHSYANNILRTQES
ACNCIGGNCYLMITDGSASGISECRFLKIREGRIIKEIFPTGRVKHTEEC
TCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTPR
PDDGSITGPCESNGDKGSGGIKGGFVHQRMASKIGRWYSRTMSKTKRMGM
GLYVKYDGDPWTDSDALALSGVMVSMEEPGWYSFGFEIKDKKCDVPCIGI
EMVHDGGKETWHSAATAIYCLMGSGQLLWDTVTGVDMAL

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: 3k3a Chain A Residue 1000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k3a Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
• Resolution: 2.59 Å
• Binding residue (original residue number in PDB): D293 T297 D324 G344 G346
• Binding residue (residue number reindexed from 1): D216 T220 D247 G267 G269
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D149 E276 R292 R374 Y409
• Catalytic site (residue number reindexed from 1): D72 E199 R215 R297 Y332
• 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:3k3a, PDBe:3k3a, PDBj:3k3a
• PDBsum: 3k3a
• PubMed: 20695427
• UniProt: Q3S340