Structure of PDB 8tj6 Chain B Binding Site BS01

Receptor Information

>8tj6 Chain B (length=172) Species: 380949 (Influenza A virus (A/Beijing/353/1989(H3N2)))

GIFGAIAGFIENGWEGMVDGWYGFRHQNSEGTGQAADLKSTQAAIDQING
KLNRLIEKTNEKFHQIEKEFSEVEGRIQDLEKYVEDTKIDLWSYNAELLV
ALENQHTIDLTDSEMNKLFEKTRKQLRENAEDMGNGCFKIYHKCDNACIG
SIRNGTYDHDVYRDEALNNRFQ

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 8tj6 Chain K Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8tj6 Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): I45 I48 N49
• Binding residue (residue number reindexed from 1): I45 I48 N49
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046789 host cell surface receptor binding

Biological Process

• GO:0019064 fusion of virus membrane with host plasma membrane

Cellular Component

• GO:0019031 viral envelope

External links

• PDB: RCSB:8tj6, PDBe:8tj6, PDBj:8tj6
• PDBsum: 8tj6
• PubMed: 38307019
• UniProt: O11283|HEMA_I89A2 Hemagglutinin (Gene Name=HA)