Structure of PDB 6dcy Chain A Binding Site BS03

Receptor Information
>6dcy Chain A (length=176) 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
SDFGKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIEKTHIHIFSFTGEEMATKADYTLDEESRAR
IKTRLFTIRQEMASRSLWDSFRQSER
Ligand information
Ligand IDG5V
InChIInChI=1S/C7H6O5/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,8H,1H3,(H,10,11)
InChIKeyNFPVFWUVBGEVHR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=C(C(=O)C(=CO1)O)C(=O)O
CACTVS 3.385CC1=C(C(O)=O)C(=O)C(=CO1)O
ACDLabs 12.01O=C(O)C1=C(OC=C(C1=O)O)C
FormulaC7 H6 O5
Name5-hydroxy-2-methyl-4-oxo-4H-pyran-3-carboxylic acid
ChEMBLCHEMBL1650617
DrugBank
ZINC
PDB chain6dcy 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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PDB6dcy Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease.
Resolution2.08 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
Binding affinityMOAD: ic50=3.5uM
PDBbind-CN: -logKd/Ki=5.46,IC50=3.5uM
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:6dcy, PDBe:6dcy, PDBj:6dcy
PDBsum6dcy
PubMed30351002
UniProtC3W5S0

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