Structure of PDB 8dde Chain A Binding Site BS01

Receptor Information
>8dde Chain A (length=180) 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]
SAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMY
SDFGEHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFI
EIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESR
ARIKTRLFTIRQEMASRSLWDSFRQSERGE
Ligand information
Ligand IDR7C
InChIInChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12)
InChIKeyNKFDRBNQGNFXBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(NC(=C(C1=O)O)c2[nH]nnn2)Br
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)c1nnn[NH]1
CACTVS 3.385OC1=C(NC(=CC1=O)Br)c2[nH]nnn2
FormulaC6 H4 Br N5 O2
Name(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one
ChEMBLCHEMBL5278197
DrugBank
ZINC
PDB chain8dde Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8dde Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Resolution2.22 Å
Binding residue
(original residue number in PDB)		H41 E80 D108 E119 K134 G197
Binding residue
(residue number reindexed from 1)		H43 E62 D90 E101 K116 G179
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8dde, PDBe:8dde, PDBj:8dde
PDBsum8dde
PubMed36655124
UniProtC3W5S0

[Back to BioLiP]