Structure of PDB 8ddb Chain A Binding Site BS03

Receptor Information
>8ddb 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
SDFGEHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSERE
Ligand information
Ligand IDR6X
InChIInChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)
InChIKeyPCMDXAXSHBWBAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(NC(=C(C1=O)O)C(=O)O)Br
CACTVS 3.385OC(=O)C1=C(O)C(=O)C=C(Br)N1
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)C(=O)O
FormulaC6 H4 Br N O4
Name6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
ChEMBLCHEMBL5289241
DrugBank
ZINC
PDB chain8ddb Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ddb Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		H43 E62 D90 E101 K116
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:8ddb, PDBe:8ddb, PDBj:8ddb
PDBsum8ddb
PubMed36655124
UniProtC3W5S0

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