2025-12-13_00000047
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ligand
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9HLI
Influenza Neuraminidase in complex with N-Acyl Oseltamivir inhibitor;
Electron microscopy 2.00Å
Protein #1
387 residues (95% resolved)
Raw Sequence ...
VKLAGNSSLCPVSGWAPLSKDNSVRIGSKGDVFVIREPFISCSPLECRTFFLTQGALLNDKHSNGTIKDRSPYRTLMSVPIGSVPSPYNARFESIAWSASACHDGINWLTIGITGPDNGAVAILKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSCYPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDKTGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWTGTDNNFSIKQDIVGINEWSGYSGSFVMHPELTGLDCIVPCFWVELIRGRPKENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTIDK
Canonical Sequence ...
VKLAGNSSLCPVSGWAPLSKDNSVRIGSKGDVFVIREPFISCSPLECRTFFLTQGALLNDKHSNGTIKDRSPYRTLMSVPIGSVPSPYNARFESIAWSASACHDGINWLTIGITGPDNGAVAILKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSCYPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDKTGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWTGTDNNFSIKQDIVGINEWSGYSGSFVMHPELTGLDCIVPCFWVELIRGRPKENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTIDK
Non polymer #2
A1IVX
InChI=1S/C18H31N3O5/c1-5-8-14(23)21-15-12(18(24)25)9-13(19)16(20-10(4)22)17(15)26-11(6-2)7-3/h9,11,13,15-17H,5-8,19H2,1-4H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15+,16+,17+/m0/s1
InChI=1S/C18H31N3O5/c1-5-8-14(23)21-15-12(18(24)25)9-13(19)16(20-10(4)22)17(15)26-11(6-2)7-3/h9,11,13,15-17H,5-8,19H2,1-4H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15+,16+,17+/m0/s1
SMILES: CCCC(=O)N[C@H]1[C@H]([C@@H]([C@H](C=C1C(=O)O)N)NC(=O)C)OC(CC)CC
CCCC(=O)N[C@H]1[C@H]([C@@H]([C@H](C=C1C(=O)O)N)NC(=O)C)OC(CC)CC
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
NAG
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Biounit #1
homo-tetramer
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Model
Reference
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