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Structure of PDB 1mwe Chain A Binding Site BS01

Receptor Information >1mwe Chain A (length=388) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] RDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRF YALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSS TSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESEC VCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSC YGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPND PTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPN ALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGR PKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL

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 1mwe Chain A Residue 1 [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 1mwe Structural evidence for a second sialic acid binding site in avian influenza virus neuraminidases. Resolution 1.7 Å Binding residue (original residue number in PDB) R118 E119 D151 R152 W178 R224 A246 E276 R292 R371 Y406 Binding residue (residue number reindexed from 1) R37 E38 D70 R71 W98 R144 A166 E196 R212 R290 Y324 Annotation score 4

Enzymatic activity Catalytic site (original residue number in PDB) D151 E277 R292 R371 Y406 Catalytic site (residue number reindexed from 1) D70 E197 R212 R290 Y324 Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.

Gene Ontology Molecular Function GO:0004308 exo-alpha-sialidase activity

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0046761	viral budding from plasma membrane

	Cellular Component
GO:0016020	membrane
GO:0033644	host cell membrane
GO:0055036	virion membrane

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