Structure of PDB 6kr2 Chain B Binding Site BS01

Receptor Information
>6kr2 Chain B (length=843) Species: 11060 (dengue virus type 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLGEKWKNRLNALGKSEFQIYKKSGIQEVDRTLAKEGIKRGETDHHAVSR
GSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVKEVKGLTKGG
PGHEEPIPMSTYGWNLVRLQSGVDVFFTPPEKCDTLLCDIGESSPNPTVE
AGRTLRVLNLVENWLNNNTQFCIKVLNPYMPSVIEKMEALQRKYGGALVR
NPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDVD
LGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHG
SYETKQTGSASSMVNGVVRLLTKPWDIIPMVTQMAMTDTTPFGQQRVFKE
KVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNS
AREAVEDSGFWELVDKERNLHLEGKCETCVYNMREKKLGEFGKAIWYMWL
GARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGA
MYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVR
VQRPTPRGTVMDIISRRDQRGVTYGLNTFTNMEAQLIRQMEGEGVFKSIQ
HLTVTEEIAVKNWLVRVGRERLSRMAISGDDCVVKPLDDRFASALTALND
MGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDE
LIGRARISQSLRETACLGKSYAQMWSLMYFHRRDLRLAANAICSAVPSHW
VPTSRTTHATHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLG
KREDQWCGSLIGLTSRATWAKNIQTAINQVRSLIGNEEYTDYM
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 chain6kr2 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kr2 A conformation-based intra-molecular initiation factor identified in the flavivirus RNA-dependent RNA polymerase.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		E438 H442 C447 C450
Binding residue
(residue number reindexed from 1)		E417 H421 C426 C429
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:6kr2, PDBe:6kr2, PDBj:6kr2
PDBsum6kr2
PubMed32357182
UniProtQ91H74

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