Structure of PDB 8dal Chain A Binding Site BS01

Receptor Information
>8dal 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 IDR6O
InChIInChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10)
InChIKeyKEYHJKGQZKFPDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1=C(C#N)NC(Br)=CC1=O
CACTVS 3.385OC1=C(NC(=CC1=O)Br)C#N
OpenEye OEToolkits 2.0.7C1=C(NC(=C(C1=O)O)C#N)Br
FormulaC6 H3 Br N2 O2
Name6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile
ChEMBLCHEMBL5289890
DrugBank
ZINC
PDB chain8dal 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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PDB8dal Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 G197 E198
Binding residue
(residue number reindexed from 1)		H43 E61 D89 E100 K115 G178 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:8dal, PDBe:8dal, PDBj:8dal
PDBsum8dal
PubMed36655124
UniProtC3W5S0

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