Structure of PDB 5zqk Chain B Binding Site BS04

Receptor Information
>5zqk Chain B (length=875) Species: 11060 (dengue virus type 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETLGEKWKNRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHHAVS
RGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVKEVKGLTKG
GPGHEEPIPMSTYGWNLVRLQSGVDVFFTPPEKCDTLLCDIGESSPNPTV
EAGRTLRVLNLVENWLNNNTQFCIKVLNPYMPSVIEKMEALQRKYGGALV
RNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDV
DLGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYH
GSYETKQTGSASSMVNGVVRLLTKPWDVIPMVTQMAMTDTTPFGQQRVFK
EKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSN
AALGAIFTDENKWKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMG
KREKKLGGKAKGSRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVE
GEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHME
GEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDIISRRDQRGSGQVVTYG
LNTFTNMEAQLIRQMEGEGVFKSIQQLTATEEIAVKNWLVRVGRERLSRM
AISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPF
CSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGAGWSLRETACLGKSY
AQMWSLMYFHRRDLRLAANAICSAVPSHWVPTSRTTWSIHATHEWMTTED
MLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKREDQWCGSLIGLTSRAT
WAKNIQTAINQVRSLIGNEEYTDYM
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5zqk Chain B Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zqk NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E438 H442 C447 C450
Binding residue
(residue number reindexed from 1)		E432 H436 C441 C444
Annotation score1
Enzymatic activity
Enzyme Commision number 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:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0004483 mRNA (nucleoside-2'-O-)-methyltransferase activity
GO:0005524 ATP binding
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation
GO:0039694 viral RNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5zqk, PDBe:5zqk, PDBj:5zqk
PDBsum5zqk
PubMed31597763
UniProtH9M652

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