Structure of PDB 8djv Chain A Binding Site BS03

Receptor Information
>8djv Chain A (length=180) 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
SDFGKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDU3U
InChIInChI=1S/C7H7BrN2O4/c1-14-10-7(13)5-6(12)3(11)2-4(8)9-5/h2,12H,1H3,(H,9,11)(H,10,13)
InChIKeyXEEQPDARENFLGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CONC(=O)C1=C(O)C(=O)C=C(Br)N1
OpenEye OEToolkits 2.0.7CONC(=O)C1=C(C(=O)C=C(N1)Br)O
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)C(=O)NOC
FormulaC7 H7 Br N2 O4
Name6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
ChEMBLCHEMBL5291486
DrugBank
ZINC
PDB chain8djv Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8djv Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 G197 E198
Binding residue
(residue number reindexed from 1)		H43 E62 D90 E101 K116 G179 E180
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:8djv, PDBe:8djv, PDBj:8djv
PDBsum8djv
PubMed36655124
UniProtC3W5S0

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