Structure of PDB 5k5m Chain A Binding Site BS01

Receptor Information
>5k5m Chain A (length=563) Species: 11060 (dengue virus type 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKSSMVNGVVRL
LTKPWDVVPMVTQMAMEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKT
PRMCTREEFTRKVRSNWKSAREAVEDSRFWELVDKERNLHLEGKCETCVY
NMMRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYI
LRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAI
FKLTYQNKVVRVQRPTVMDIISRRDQRGSTYGLNTFTNMEAQLIRQMEGE
GVFKSIQHLTVTEEIAVQNWLARVGRERLSRMAISGDDCVVKPLDDRFAS
ALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVV
PCRNQDELIGRARISQGAGWSLRETACLGKSYAQMWSLMYFHRRDLRLAA
NAICSAVPSHWVPTSRTTWSIHAKHEWMTTEDMLTVWNRVWIQENPWMED
KTPVESWEEIPYLGKREDQWCGSLIGLTSRATWAKNIQTAINQVRSLIGN
EEYTDYMPSMKRF
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 chain5k5m 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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PDB5k5m Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		H712 H714 C728 C847
Binding residue
(residue number reindexed from 1)		H386 H388 C402 C521
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5k5m, PDBe:5k5m, PDBj:5k5m
PDBsum5k5m
PubMed27500641
UniProtA0A097PIE2

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