Structure of PDB 6izx Chain A Binding Site BS06

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 912 [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)		V507 E510 S661 C709
Binding residue
(residue number reindexed from 1)		V215 E218 S367 C415
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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