Structure of PDB 6izx Chain A Binding Site BS07

Receptor Information
>6izx Chain A (length=581) 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
KKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIKWKSAREA
VEDSRFWELVDKERNLHLEGKCETCVYNMMAIWYMWLGARFLEFEALGFL
NEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRI
TLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDI
ISRRDQRGSVGTYGLNTFTNMEAQLIRQMEGEGVFKSIQHLTVTEEIAVQ
NWLARVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQW
EPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGA
GWSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSHEW
MTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQGSLIGLTS
RATWAKNIQTAINQVRSLIGNEEYTDYMPSM
Ligand information
Ligand IDB5C
InChIInChI=1S/C9H6O4S/c1-5(10)12-6-2-3-7-8(4-6)14-9(11)13-7/h2-4H,1H3
InChIKeyGBLGMSCMLNOGSY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C2(Sc1cc(OC(C)=O)ccc1O2)=O
OpenEye OEToolkits 2.0.6CC(=O)Oc1ccc2c(c1)SC(=O)O2
CACTVS 3.385CC(=O)Oc1ccc2OC(=O)Sc2c1
FormulaC9 H6 O4 S
Name2-oxo-2H-1,3-benzoxathiol-5-yl acetate
ChEMBLCHEMBL5171584
DrugBank
ZINCZINC000000103064
PDB chain6izx Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6izx Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		S763 R773 N777 C780 M809 W833
Binding residue
(residue number reindexed from 1)		S469 R479 N483 C486 M506 W530
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6izx, PDBe:6izx, PDBj:6izx
PDBsum6izx
PubMed31738758
UniProtP14340|POLG_DEN2N Genome polyprotein

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