Structure of PDB 4xqu Chain C Binding Site BS01

Receptor Information
>4xqu Chain C (length=318) Species: 1458555 (Influenza A virus (A/Jiangxi/IPB13/2013(H10N8))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKICLGHHAVANGTIVKTLTNEQEEVTNATETVESTGINRLCMKGRKHKD
LGNCHPIGMLIGTPACDLHLTGMWDTLIERENAIAYCYPGATVNVEALRQ
KIMESGGINKISTGFTYGSSINSAGTTRACMRNGGNSFYAELKWLVSKSK
GQNFPQTTNTYRNTDTAEHLIMWGIHHPSSTQEKNDLYGTQSLSISVGSS
TYRNNFVPVVGARPQVNGQSGRIDFHWTLVQPGDNITFSHNGGLIAPSRV
SKLIGRGLGIQSDAPIDNNCESKCFWRGGSINTRLPFQNLSPRTVGQCPK
YVNRRSLMLATMRNVPEL
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 chain4xqu Chain I Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xqu A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		Y98 T135 T136 H183 E190 L194 Q226
Binding residue
(residue number reindexed from 1)		Y88 T126 T127 H176 E183 L187 Q219
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:4xqu, PDBe:4xqu, PDBj:4xqu
PDBsum4xqu
PubMed25766296
UniProtA0A059T4A1

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