Structure of PDB 1ivc Chain A Binding Site BS02

Receptor Information
>1ivc Chain A (length=388) Species: 380960 (Influenza A virus (A/Tokyo/3/1967(H2N2))) [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 information
Ligand IDST2
InChIInChI=1S/C9H10N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyCALDTVBHJMBRTM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)Nc1c(N)cc(cc1O)C(O)=O
ACDLabs 10.04O=C(O)c1cc(O)c(NC(=O)C)c(c1)N
OpenEye OEToolkits 1.5.0CC(=O)Nc1c(cc(cc1O)C(=O)O)N
FormulaC9 H10 N2 O4
Name4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL109005
DrugBankDB08571
ZINCZINC000003581100
PDB chain1ivc Chain A Residue 471 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ivc Structures of aromatic inhibitors of influenza virus neuraminidase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R118 D151 R152 Y406
Binding residue
(residue number reindexed from 1)		R37 D70 R71 Y325
Annotation score1
Enzymatic activity
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.
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ivc, PDBe:1ivc, PDBj:1ivc
PDBsum1ivc
PubMed7880809
UniProtP06820|NRAM_I67A0 Neuraminidase (Gene Name=NA)

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