Structure of PDB 4xkf Chain A Binding Site BS01

Receptor Information
>4xkf Chain A (length=329) Species: 119212 (H6N1 subtype) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGDKICIGYHANNSTTQVDTLLEKNVTVTHSVELLENQKEKRFCKIMNKA
PLDLKDCTIEGWILGNPKCDLLLGDQSWSYIVERPNAQNGICYPGVLNEL
EELKAFIGSGERVERFEMFPKSTWAGVDTSRGVTNACPSYTIDSSFYRNL
VWIVKTDSATYPVIKGTYNNTGTQPILYFWGVHHPLDTTVQDNLYGSGDK
YVRMGTESMNFAKSPEIAARPAVNGQRSRIDYYWSVLRPGETLNVESNGN
LIAPWYAYKFVSTNKGAVFKSDLPIENCDATCQTITGVLRTNKTFQNVSP
LWIGECPKYVKSESLRLATGLRNVPQIAT
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 chain4xkf Chain G Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xkf Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus.
Resolution2.446 Å
Binding residue
(original residue number in PDB)		Y98 V135 T136 N137 W153 H183 L194 Q226 S228
Binding residue
(residue number reindexed from 1)		Y93 V133 T134 N135 W152 H183 L194 Q226 S228
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
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Cellular Component
External links
PDB RCSB:4xkf, PDBe:4xkf, PDBj:4xkf
PDBsum4xkf
PubMed25766295
UniProtA0A0J9X268

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