Structure of PDB 5br3 Chain C Binding Site BS02

Receptor Information
>5br3 Chain C (length=326) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKAPL
DLKDCTIEGWILGNPKCDLLLGDQSWSYIVERPNAQNGICYPGVLNELEE
LKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTIDSSFYRNLVW
IVKTDSATYPVIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDKYV
RMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGETLNVESNGNLI
APWYAYKFVSTNKKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSPL
WIGECPKYVKSESLRLATGLRNVPQI
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 chain5br3 Chain G Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5br3 Structural and Functional Studies of Influenza Virus A/H6 Hemagglutinin.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Y91 V131 T132 N133 W150 H181 L192 Q224 S226
Binding residue
(residue number reindexed from 1)		Y91 V131 T132 N133 W150 H181 L192 Q224 S226
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046789 host cell surface receptor binding
Biological Process
GO:0019062 virion attachment to host cell
GO:0019064 fusion of virus membrane with host plasma membrane
GO:0039654 fusion of virus membrane with host endosome membrane
GO:0046718 symbiont entry into host cell
GO:0075512 clathrin-dependent endocytosis of virus by host cell
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0019031 viral envelope
GO:0020002 host cell plasma membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5br3, PDBe:5br3, PDBj:5br3
PDBsum5br3
PubMed26226046
UniProtA0A0M3KL64

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