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Structure of PDB 4lkg Chain A Binding Site BS02

Receptor Information >4lkg Chain A (length=316) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DKICLGHHAVSNGTKVNTLTERGVEVVNATETVERTNIPRICSKGKRTVD LGQCGLLGTITGPPQCDQFLEFSADLIIERREGSDVCYPGKFVNEEALRQ ILRESGGIDKEAMGFTYSGIRTNGATSSCRRSGSSFYAEMKWLLSNTDNA AFPQMTKSYKNTRKNPALIVWGIHHSGSTAEQTKLYGSGNKLVTVGSSNY QQSFVPSPGARTQVNGQSGRIDFHWLMLNPNDTVTFSFNGAFIAPDRASF LRGKSMGIQSGVQVDADCEGDCYYSGGTIISNLPFQNIDSRAVGKCPRYV KQRSLLLATGMKNVPE

Ligand information Ligand ID SIA InChI InChI=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 InChIKey SQVRNKJHWKZAKO-YRMXFSIDSA-N SMILES Software SMILES CACTVS 3.341 CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O OpenEye OEToolkits 1.5.0 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O OpenEye OEToolkits 1.5.0 CC(=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 10.04 O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 CACTVS 3.341 CC(=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 Formula C11 H19 N O9 Name N-acetyl-alpha-neuraminic acid; N-acetylneuraminic acid; sialic acid; alpha-sialic acid; O-SIALIC ACID ChEMBL CHEMBL1234621 DrugBank DB03721 ZINC ZINC000004081651 PDB chain 4lkg Chain G Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4lkg Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Resolution 2.994 Å Binding residue (original residue number in PDB) Y88 A125 T126 S127 W142 H174 E181 L185 Q217 Binding residue (residue number reindexed from 1) Y88 A125 T126 S127 W142 H174 E181 L185 Q217 Annotation score 4 Binding affinity PDBbind-CN: -logKd/Ki=6.80,Kd=0.16uM

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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