Structure of PDB 2wr7 Chain A Binding Site BS01

Receptor Information
>2wr7 Chain A (length=473) Species: 382781 (Influenza A virus (A/Singapore/1/1957(H2N2))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IGYHANNSTEKVDTILERNVTVTHAKDILEKTHNGKLCKLNGIPPLELGD
CSIAGWLLGNPECDRLLSVPEWSYIMEKENPRDGLCYPGSFNDYEELKHL
LSSVKHFEKVKILPKDRWTQHTTTGGSRACAVSGNPSFFRNMVLTEKGSN
YPVAKGSYNNTSGEQMLIIWGVHHPNDETEQRTLYQNVGTYVSVGTSTLN
KRSTPDIATRPKVNGLGSRMEFSWTLLDMWDTINFESTGNLIAPEYGFKI
SKRGSSGIMKTEGTLENCETKCQTPLGAINTTLPFHNVHPLTIGECPKYV
KSEKLVLATGLRNVPGLFGAIAGFIEGGWQGMIDGWYGYHHSNDQGSGYA
ADKESTQKAFDGITNKVNSVIEKMNTQFEAVGKEFSNLERRLENLNKKME
DGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRMQLRDNVKELGN
GCFEFYHKCDDECMNSVKNGTYD
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 chain2wr7 Chain D Residue 4 [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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PDB2wr7 From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y95 G134 S135 H182 E189 L193 S227
Binding residue
(residue number reindexed from 1)		Y87 G126 S127 H173 E180 L184 S218
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:2wr7, PDBe:2wr7, PDBj:2wr7
PDBsum2wr7
PubMed19805083
UniProtQ67333|HEMA_I57A5 Hemagglutinin (Gene Name=HA)

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