Structure of PDB 4zi0 Chain A Binding Site BS03

Receptor Information
>4zi0 Chain A (length=181) Species: 211044 (Influenza A virus (A/Puerto Rico/8/1934(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMEDFVRQCFNPMIVELAEKTMKEYGEDLKIETNKFAAICTHLEVC
FMYSDASKHRFEIIEGRDRTMAWTVVNSICNTTGAEKPKFLPDLYDYKEN
RFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDE
ESRARIKTRLFTIRQEMASRGLWDSFRQSER
Ligand information
Ligand ID4P9
InChIInChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
InChIKeyRTAUGTZBLILHLD-VIZOYTHASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(ccc1NN=Cc2ccc(c(c2O)O)O)Cl
CACTVS 3.385Oc1ccc(\C=N\Nc2ccc(Cl)cc2)c(O)c1O
OpenEye OEToolkits 1.9.2c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl
CACTVS 3.385Oc1ccc(C=NNc2ccc(Cl)cc2)c(O)c1O
ACDLabs 12.01c1cc(Cl)ccc1NN=[C@H]c2c(c(c(cc2)O)O)O
FormulaC13 H11 Cl N2 O3
Name4-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-triol
ChEMBLCHEMBL3600948
DrugBank
ZINCZINC000005783922
PDB chain4zi0 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4zi0 Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit
Resolution1.802 Å
Binding residue
(original residue number in PDB)		K34 A37 T123 F150 F191 S194 E195
Binding residue
(residue number reindexed from 1)		K39 A42 T108 F135 F176 S179 E180
Annotation score1
Binding affinityBindingDB: IC50=8300nM
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:4zi0, PDBe:4zi0, PDBj:4zi0
PDBsum4zi0
PubMed27088785
UniProtP03433|PA_I34A1 Polymerase acidic protein (Gene Name=PA)

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