Structure of PDB 8tjb Chain A Binding Site BS01

Receptor Information
>8tjb Chain A (length=317) Species: 1980844 (Influenza A virus (A/Texas/73/2017(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGATLCLGHHAVPNGTIVKTITNDRIEVTNATELVQNSSIGEICDSPHQI
LDGENCTLIDALLGDPQCDGFQNKKWDLFVERSKAYSNCYPYDVPDYASL
RSLVASSGTLEFKNESFNWTGVTQNGKSSACIRRSSSSFFSRLNWLTHLN
YTYPALNVTMPNKEQFDKLYIWGVHHPGTDKDQIFLYAQSSGRITVSTKR
SQQAVIPNIGSRPRIRDIPSRISIYWTIVKPGDILLINSTGNLIAPRGYF
KIRSGKSSIMRSDAPIGKCKSECITPNGSIPNDKPFQNVNRITYGACPRY
VKHSTLKLATGMRNVPE
Ligand information
Ligand IDSIA
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
InChIKeySQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-alpha-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
alpha-sialic acid;
O-SIALIC ACID
ChEMBLCHEMBL1234621
DrugBankDB03721
ZINCZINC000004081651
PDB chain8tjb Chain G Residue 5 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8tjb Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Resolution2.45 Å
Binding residue
(original residue number in PDB)
Y98 K135 S136 S137 W153 L194 I226 S228
Binding residue
(residue number reindexed from 1)
Y90 K127 S128 S129 W145 L186 I218 S220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:8tjb, PDBe:8tjb, PDBj:8tjb
PDBsum8tjb
PubMed38307019
UniProtA0A1W6AW68

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