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Receptor Information

>1inw 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]

VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPVKCYQ
FALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSS
SCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECV
CINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCY
PRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDR
SSNSNCRDPNNERGTQGVKGWAFDNGNDLWMGRTISKDLRSGYETFKVIG
GWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGRK
QETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI

Ligand ID

AXP

InChI

InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1

InChIKey

QITAGYVZDNZULE-HDBWYCHPSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
OpenEye OEToolkits 1.5.0	CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O
CACTVS 3.341	CC(=O)N[C@@H]1[C@@H](O)C[C@@H](O[C@H]1[C@H](O)[C@H](O)CO)[P](O)(O)=O
CACTVS 3.341	CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O

Formula

C10 H20 N O9 P

Name

(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol;
4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)

PDB chain

1inw Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1inw A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	R118 D151 R152 R224 A246 E276 R371 Y406
Binding residue (residue number reindexed from 1)	R37 D70 R71 R143 A165 E195 R290 Y325
Annotation score	1

Catalytic site (original residue number in PDB)	D151 E277 R292 R371 Y406
Catalytic site (residue number reindexed from 1)	D70 E196 R211 R290 Y325
Enzyme Commision number	3.2.1.18: exo-alpha-sialidase.

	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

PDB	RCSB:1inw, PDBe:1inw, PDBj:1inw
PDBsum	1inw
PubMed	7844831
UniProt	P06820\|NRAM_I67A0 Neuraminidase (Gene Name=NA)

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Structure of PDB 1inw Chain A Binding Site BS01