Structure of PDB 6e6x Chain A Binding Site BS03

Receptor Information
>6e6x Chain A (length=175) 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
IGVTRREVHIYYLEKANKIEKTHIHIFSFTGEEMATKADYTLDEESRARI
KTRLFTIRQEMASRSLWDSFRQSER
Ligand information
Ligand IDHWM
InChIInChI=1S/C13H11N5O2/c1-8-6-11(19)12(20)7-18(8)10-4-2-9(3-5-10)13-14-16-17-15-13/h2-7,20H,1H3,(H,14,15,16,17)
InChIKeyOLTCPYAKGLAHBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1nnnc1c2ccc(cc2)N3C(=CC(C(=C3)O)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC1=CC(=O)C(=CN1c2ccc(cc2)c3[nH]nnn3)O
FormulaC13 H11 N5 O2
Name5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one
ChEMBLCHEMBL4531327
DrugBank
ZINC
PDB chain6e6x 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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PDB6e6x SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K34 H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		K36 H43 E61 D89 E100 K115
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:6e6x, PDBe:6e6x, PDBj:6e6x
PDBsum6e6x
PubMed31536340
UniProtC3W5S0

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