Structure of PDB 6iig Chain A Binding Site BS01

Receptor Information
>6iig Chain A (length=495) Species: 11309 (unidentified influenza virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDRICIGYHANNSTTQVDTIMEKNVTVTHAQDILEKEHNGRLCSLKGVKP
LILKNCSVAGWLLGNPMCDEFLNAPEWSYIVEKDRPSNGLCYPGTFNYYE
ELKHLMSSTNQFEKIQIFPRSSWSNHDASSGVSSACPYNGRSSFFRNVVW
LIKKNNVYRTITRTYNNTNIEDLLIIWGIHHPNNAAEQIKLYQNPSTYVS
VGTSTLNQRSIPEIATRPKVNGQSSRMEFFWTILRPNDSITFESTGNFIA
PEYAYKIVKKGDSAIMKSELSYSNCDTKCQTPVGAINSSMPFHNVHPFAI
GECPKYVKLKKLVLATGLRNIGAIAGFIEGGWQGMVDGWYGYHHSNEQGS
GYAADKESTQKAVDGITNKVNSIISKMNSQFEAVGKEFNNLERRIENLNK
KMEDGFIDVWTYNAELLVLMENERTLDLHDSNVKNLYDKVRRQLRDNAKE
LGNGCFEFYHRCDNKCMESVRNGTYDYPQYSEESRLKREEIDSGL
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 chain6iig Chain B Residue 2 [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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PDB6iig crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
Resolution3.208 Å
Binding residue
(original residue number in PDB)		Y94 V134 S135 S136 W152 E189 Q225
Binding residue
(residue number reindexed from 1)		Y92 V132 S133 S134 W150 E187 Q223
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:6iig, PDBe:6iig, PDBj:6iig
PDBsum6iig
PubMed
UniProtA0A059VBQ9

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