Structure of PDB 6dzq Chain A Binding Site BS03

Receptor Information
>6dzq Chain A (length=178) 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]
AMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYS
DFGHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEI
GVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRAR
IKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDHJP
InChIInChI=1S/C7H6O5/c1-3-2-4(8)5(9)6(12-3)7(10)11/h2,9H,1H3,(H,10,11)
InChIKeyIYJIUCSTNIURLO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1=CC(=O)C(=C(O1)C(O)=O)O
ACDLabs 12.01O=C(O)C=1OC(C)=CC(C=1O)=O
OpenEye OEToolkits 2.0.6CC1=CC(=O)C(=C(O1)C(=O)O)O
FormulaC7 H6 O5
Name3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid
ChEMBLCHEMBL4173478
DrugBank
ZINC
PDB chain6dzq 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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PDB6dzq Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 E198
Binding residue
(residue number reindexed from 1)		H42 E60 D88 E99 K114 E178
Annotation score1
Binding affinityMOAD: ic50=0.043uM
PDBbind-CN: -logKd/Ki=7.37,IC50=0.043uM
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:6dzq, PDBe:6dzq, PDBj:6dzq
PDBsum6dzq
PubMed30351002
UniProtC3W5S0

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