Structure of PDB 6j00 Chain A Binding Site BS02

Receptor Information
>6j00 Chain A (length=575) Species: 11069 (dengue virus type 3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NMDVIGERIRRIKEEHSSTWHYDDENPYKTWAYHGSYEVKATGSASSMIN
GVVKLLTKPWDVVPTVTQMAMTDTTPFGQQRVFKEKVDTRTPKPMPGTRK
VMEITAGWLWRTLGRNKRPRLCTREEFTKKVRDSARAAVEDEEFWKLVDR
ERELHKQGKCGSCVYNMMWLGARYLEFEALGFLNEDHWFSRENSYSGVEG
EGLHKLGYILRDISKIPGGAMYADDTAGWDTRITEDDLHNEEKITQQMDP
EHRQLANAIFKLTYQNKVVKVQRPTPKGTVMDIISRKDQRGSGQVGTYGL
NTFTNMEAQLIRQMEGEGVLSKTDLENPHLLEKKITQWLETKGVERLKRM
AISGDDCVVKPIDDRFANALLALNDMGKVRKDIPQWQPSKGWHDWQQVPF
CSHHFHELIMKDGRKLVVPCRPQDELIGRARISQGAGWSLKETACLGKAY
AQMWALMYFHRRDLRLASNAICSAVPVHWVPTSRTTWSIHAHHQWMTTED
MLTVWNRVWIEDNPWMEDKTPVTTWEDVPYLGKREDQWCGSLIGLTSRAT
WAQNILTAIQQVRSLIGNEEFLDYM
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 chain6j00 Chain A Residue 902 [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]
PDB6j00 Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		H712 H714 C728 C847
Binding residue
(residue number reindexed from 1)		H404 H406 C420 C539
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: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:6j00, PDBe:6j00, PDBj:6j00
PDBsum6j00
PubMed31738758
UniProtQ5I3C1

[Back to BioLiP]