Structure of PDB 6tzb Chain A Binding Site BS01

Receptor Information
>6tzb Chain A (length=321) Species: 506350 (Influenza A virus (A/Hong Kong/1/1968(H3N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRI
LDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASL
RSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSG
STYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRR
SQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYF
KMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKY
VKQNTLKLATGMRNVPEKQTR
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 chain6tzb Chain J 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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PDB6tzb Major antigenic site B of human influenza H3N2 viruses has an evolving local fitness landscape.
Resolution2.243 Å
Binding residue
(original residue number in PDB)		Y98 G135 S136 N137 W153 H183 E190 L194 S228
Binding residue
(residue number reindexed from 1)		Y90 G127 S128 N129 W145 H175 E182 L186 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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6tzb, PDBe:6tzb, PDBj:6tzb
PDBsum6tzb
PubMed32144244
UniProtQ91MA7|HEMA_I68A4 Hemagglutinin (Gene Name=HA)

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