Structure of PDB 2wrh Chain L Binding Site BS01

Receptor Information
>2wrh Chain L (length=322) Species: 352520 (Influenza A virus (A/mallard/Alberta/35/1976(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTICVGYHANNSTDTVDTVLEKNVTVTHSVNLLEDSHNGKLCSLGIAPLQ
LGKCNVAGWLLGNPECDLLLTANSWSYIIETSNSENGTCYPGEFIDYEEL
REQLSSVSSFEKFEIFPKASSWPNHETKGVTAACSYSGASSFYRNLLWIT
KKGTSYPKLSKSYTNNKGKEVLVLWGVHHPPSVSEQQSLYQNADAYVSVG
SSKYNRRFAPEIAARPKVRGQAGRMNYYWTLLDQGDTITFEATGNLIAPW
YAFALNKGSDSGIITSDAPVHNCDTRCQTPHGALNSSLPFQNVHPITIGE
CPKYVKSTKLRMATGLRNVPSR
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 chain2wrh Chain L Residue 1328 [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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PDB2wrh Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y95 V135 T136 A137 W153 H183 E190 Q226
Binding residue
(residue number reindexed from 1)		Y90 V130 T131 A132 W148 H178 E185 Q221
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:2wrh, PDBe:2wrh, PDBj:2wrh
PDBsum2wrh
PubMed19805083
UniProtP26562|HEMA_I76A4 Hemagglutinin (Gene Name=HA)

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