Structure of PDB 7v04 Chain A Binding Site BS03

Receptor Information
>7v04 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
SDGGKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDPQO
InChIInChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10)
InChIKeyWVSCZJMUZSYCEH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)C1=C(O)C(=O)C=C(Br)N1
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)C(N)=O
OpenEye OEToolkits 2.0.7C1=C(NC(=C(C1=O)O)C(=O)N)Br
FormulaC6 H5 Br N2 O3
Name6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
ChEMBLCHEMBL5268084
DrugBank
ZINC
PDB chain7v04 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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PDB7v04 Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution1.91 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:7v04, PDBe:7v04, PDBj:7v04
PDBsum7v04
PubMed36655124
UniProtC3W5S0

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