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Structure of PDB 4kps Chain E Binding Site BS01

Receptor Information >4kps Chain E (length=324) Species: 384499 (Influenza A virus (A/gull/Maryland/704/1977(H13N6))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] IQDRICVGYLSTNSSERVDTLLENGVPVTSSIDLIETNHTGTYCSLNGVS PVHLGDCSFEGWIVGNPACTSNFGIREWSYLIEDPAAPHGLCYPGELNNN GELRHLFSGIRSFSRTELIPPTSWGEVLDGTTSACRDNTGTNSFYRNLVW FIKKNNRYPVISKTYNNTTGRDVLVLWGIHHPVSVDETKTLYVNSDPYTL VSTKSWSEKYKLETGVRPGYNGQRSWMKIYWSLIHPGEMITFESNGGFLA PRYGYIIEEYGKGRIFQSRIRMSRCNTKCQTSVGGINTNRTFQNIDKNAL GDCPKYIKSGQLKLATGLRNVPAI

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 4kps 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 4kps Structure and Receptor Binding Specificity of Hemagglutinin H13 from Avian Influenza A Virus H13N6 Resolution 2.587 Å Binding residue (original residue number in PDB) Y96 T134 T135 W153 H183 L194 Q226 S228 Binding residue (residue number reindexed from 1) Y93 T131 T132 W150 H180 L191 Q223 S225 Annotation score 4

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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