Structure of PDB 4uny Chain A Binding Site BS01

Receptor Information
>4uny Chain A (length=317) Species: 867285 (Influenza A virus (A/canine/Colorado/17864/2006(H3N8))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTATLCLGHHAVANGTLVKTITDDQIEVTNATELVQSISIGKICNNSYRV
LDGRNCTLIDAMLGDPHCDDFQYENWDLFIERSSAFSNCYPYDIPDYASL
RSIVASSGTLEFTAEGFTWTGVTQNGGSGACKRGSADSFFSRLNWLTKSG
NSYPILNVTMPNNKNFDKLYIWGIHHPSSNKEQTKLYIQESGRVTVSTER
SQQTVIPNIGSRPWVRGQSGRISIYWTIVKPGDILMINSNGNLVAPRGYF
KLRTGKSSVMRSDALIDTCVSECITPNGSIPNDKPFQNVNKITYGKCPKY
IRQNTLKLATGMRNVPE
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 chain4uny 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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PDB4uny Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		Y98 G135 S136 G137 H183 E190 L194 Q226
Binding residue
(residue number reindexed from 1)		Y90 G127 S128 G129 H175 E182 L186 Q218
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:4uny, PDBe:4uny, PDBj:4uny
PDBsum4uny
PubMed25024224
UniProtQ82847

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