Structure of PDB 1ivb Chain A Binding Site BS02

Receptor Information
>1ivb Chain A (length=390) Species: 11520 (Influenza B virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFVACGPKE
CRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAA
WSGSACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQE
SACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEE
CTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTKTYLDTP
RPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASKIGRWYSRTMSKTNRMG
MELYVRYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKCDVPCIG
IEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
Ligand information
Ligand IDST1
InChIInChI=1S/C9H8N2O6/c1-4(12)10-8-6(11(16)17)2-5(9(14)15)3-7(8)13/h2-3,13H,1H3,(H,10,12)(H,14,15)
InChIKeyJIDRTCHFBHJIDG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-]
CACTVS 3.341CC(=O)Nc1c(O)cc(cc1[N+]([O-])=O)C(O)=O
ACDLabs 10.04[O-][N+](=O)c1cc(cc(O)c1NC(=O)C)C(=O)O
FormulaC9 H8 N2 O6
Name4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID
ChEMBLCHEMBL324455
DrugBankDB08570
ZINCZINC000003833968
PDB chain1ivb 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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PDB1ivb Structures of aromatic inhibitors of influenza virus neuraminidase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R116 E117 D149 R150 R292 R374 Y409
Binding residue
(residue number reindexed from 1)		R40 E41 D73 R74 R216 R298 Y333
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D149 E276 R292 R374 Y409
Catalytic site (residue number reindexed from 1) D73 E200 R216 R298 Y333
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
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:1ivb, PDBe:1ivb, PDBj:1ivb
PDBsum1ivb
PubMed7880809
UniProtP03474|NRAM_INBLE Neuraminidase (Gene Name=NA)

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