Structure of PDB 6izy Chain A Binding Site BS01

Receptor Information
>6izy Chain A (length=586) Species: 11060 (dengue virus type 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSM
VNGVVRLLTKPWDVVPMVTQMAMTDTTPFGQQRVFKEKVDTRTQEPKEGT
KKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIFTKWKSAR
EAVEDSRFWELVDKERNLHLEGKCETCVYNMMAIWYMWLGARFLEFEALG
FLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDT
RITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVM
DIISRRDQRGSGQVGTYGLNTFTNMEAQLIRQMEGEGVFKSIQHLTVTEE
IAVQNWLARVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKD
IQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARI
SQGAGWSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPT
SKHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWCG
SLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYMP
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain6izy Chain A Residue 901 [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]
PDB6izy Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		H288 T290
Binding residue
(residue number reindexed from 1)		H18 T20
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003968 RNA-dependent RNA polymerase activity
GO:0005524 ATP binding
Biological Process
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6izy, PDBe:6izy, PDBj:6izy
PDBsum6izy
PubMed31738758
UniProtP14340|POLG_DEN2N Genome polyprotein

[Back to BioLiP]