Structure of PDB 5iq6 Chain A Binding Site BS01

Receptor Information
>5iq6 Chain A (length=576) Species: 11069 (dengue virus type 3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVIGERIKRIKEEHNSTWHYDDENPYKTWAYHGSYEVKSSMINGVVKLL
TKPWDVVPMVTQMAMTDTTPFGQQRVFKEKVDTRTPRPLPGTRKVMEITA
EWLWRTLGRNKRPRLCTREEFTKKVRTNAASAKAAVEDEEFWKLVDRERE
LHKLGKCGSCVYNMGSRAIWYMWLGVRYLEFEALGFLNEDHWFSRENSYS
GVEGEGLHKLGYILRDISKIPGGAMYADDTAGWDTRITEDDLHNEEKIIQ
QMDPEHRQLANAIFKLTYQNKVVKVQRPTTVMDIISRKDQRGSGQVGTYG
LNTFTNMEAQLVRQMEGEGVLTKADLENPHLLEKKITQWLETKGVERLKR
MAISGDDCVVKPIDDRFANALLALNDMGKVRKDIPQWQPSKGWHDWQQVP
FCSHHFHELIMKDGRKLVVPCRPQDELIGRARISQGAGWSLRETACLGKA
YAQMWSLMYFHRRDLRLASNAICSAVPVHWVPTSRTTWSIHAHHQWMTTE
DMLTVWNRVWIEENPWMEDKTPVTTWENVPYLGKREDQWCGSLIGLTSRA
TWAQNIPTAIQQVRSLIGNEEFLDYM
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 chain5iq6 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iq6 Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H712 H714 C728 C847
Binding residue
(residue number reindexed from 1)		H405 H407 C421 C540
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:5iq6, PDBe:5iq6, PDBj:5iq6
PDBsum5iq6
PubMed27649989
UniProtQ6YMS4|POLG_DEN3S Genome polyprotein (Gene Name=pol)

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