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Structure of PDB 4dj7 Chain A Binding Site BS02

Receptor Information >4dj7 Chain A (length=316) Species: 680693 (Influenza A virus (A/Netherlands/219/2003(H7N7))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] DKICLGHHAVSNGTKVNTLTERGVEVVNATETVERTNVPRICSKGKRTVD LGQCGLLGTITGPPQCDQFLEFSADLIIERREGSDVCYPGKFVNEEALRQ ILRESGGIDKETMGFTYSGIRTNGTTSACRRSGSSFYAEMKWLLSNTDNA AFPQMTKSYKNTRKDPALIIWGIHHSGSTTEQTKLYGSGNKLITVGSSNY QQSFVPSPGARPQVNGQSGRIDFHWLILNPNDTVTFSFNGAFIAPDRASF LRGKSMGIQSEVQVDANCEGDCYHSGGTIISNLPFQNINSRAVGKCPRYV KQESLLLATGMKNVPE

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 4dj7 Chain H 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 4dj7 Structure and receptor complexes of the hemagglutinin from a highly pathogenic H7N7 influenza virus. Resolution 2.81 Å Binding residue (original residue number in PDB) Y88 T125 T126 S127 W142 H174 E181 Q217 Binding residue (residue number reindexed from 1) Y88 T125 T126 S127 W142 H174 E181 Q217 Annotation score 4 Binding affinity PDBbind-CN: -logKd/Ki=6.30,Kd=0.5uM

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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