Structure of PDB 4e5f Chain B Binding Site BS03
Receptor Information
>4e5f Chain B (length=180) Species:
284218
(Influenza A virus (A/Viet Nam/1203/2004(H5N1))) [
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MEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSD
GGSKHRFEIIEGRDRTMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIE
IGVTRREVHTYYLEKANKIKSEETHIHIFSFTGEEMATKADYTLDEESRA
RIKTRLFTIRQEMASRGLWDSFRQSERAAA
Ligand information
Ligand ID
0N7
InChI
InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
InChIKey
ZXAICCBFIBBVAR-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1ccc2c(c1)CC(=O)N(C2=O)O
CACTVS 3.370
ON1C(=O)Cc2ccccc2C1=O
ACDLabs 12.01
O=C2c1c(cccc1)CC(=O)N2O
Formula
C9 H7 N O3
Name
2-hydroxyisoquinoline-1,3(2H,4H)-dione
ChEMBL
CHEMBL16755
DrugBank
ZINC
ZINC000003626195
PDB chain
4e5f Chain B Residue 305 [
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Receptor-Ligand Complex Structure
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PDB
4e5f
Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Resolution
2.392 Å
Binding residue
(original residue number in PDB)
H41 E80 D108 K134
Binding residue
(residue number reindexed from 1)
H41 E61 D89 K115
Annotation score
1
Binding affinity
MOAD
: ic50=15uM
Enzymatic activity
Enzyme Commision number
3.1.-.-
Gene Ontology
Molecular Function
GO:0003723
RNA binding
Biological Process
GO:0039694
viral RNA genome replication
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Molecular Function
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Biological Process
External links
PDB
RCSB:4e5f
,
PDBe:4e5f
,
PDBj:4e5f
PDBsum
4e5f
PubMed
22876176
UniProt
Q5EP34
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