Structure of PDB 8dhn Chain A Binding Site BS01

Receptor Information
>8dhn Chain A (length=179) Species: 641501 (Influenza A virus (A/California/04/2009(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDFGHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIE
IGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRA
RIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDT6U
InChIInChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)
InChIKeyVCOZTCCRJIGBLQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O
CACTVS 3.385Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)c1nc(C)on1
FormulaC8 H6 Br N3 O3
Name(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
ChEMBLCHEMBL5289714
DrugBank
ZINC
PDB chain8dhn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dhn Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 E198
Binding residue
(residue number reindexed from 1)		H43 E61 D89 E100 K115 E179
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:8dhn, PDBe:8dhn, PDBj:8dhn
PDBsum8dhn
PubMed36655124
UniProtC3W5S0

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