Structure of PDB 1ive Chain B Binding Site BS03

Receptor Information
>1ive Chain B (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 IDST3
InChIInChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyMJMLUICFHWSBQZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)Nc1ccc(cc1N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc(cc1N)C(=O)O
ACDLabs 10.04O=C(O)c1cc(N)c(NC(=O)C)cc1
FormulaC9 H10 N2 O3
Name4-(ACETYLAMINO)-3-AMINO BENZOIC ACID
ChEMBLCHEMBL109162
DrugBankDB02268
ZINC
PDB chain1ive Chain B Residue 471 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB1ive 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ive, PDBe:1ive, PDBj:1ive
PDBsum1ive
PubMed7880809
UniProtP06820|NRAM_I67A0 Neuraminidase (Gene Name=NA)

[Back to BioLiP]