Structure of PDB 6e6v Chain A Binding Site BS03

Receptor Information
>6e6v 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]
MAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDFGHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIE
IGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRA
RIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDHWA
InChIInChI=1S/C7H7NO4/c1-3-2-4(9)6(10)5(8-3)7(11)12/h2,10H,1H3,(H,8,9)(H,11,12)
InChIKeyXNWQBUPQWNNJAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)C(=C(N1)C(O)=O)O
OpenEye OEToolkits 2.0.6CC1=CC(=O)C(=C(N1)C(=O)O)O
ACDLabs 12.01OC(=O)C=1NC(C)=CC(C=1O)=O
FormulaC7 H7 N O4
Name3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
ChEMBLCHEMBL4170746
DrugBank
ZINC
PDB chain6e6v Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e6v SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
Resolution2.25 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
Binding affinityPDBbind-CN: -logKd/Ki=7.77,IC50=17nM
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:6e6v, PDBe:6e6v, PDBj:6e6v
PDBsum6e6v
PubMed31536340
UniProtC3W5S0

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