Structure of PDB 6s3a Chain A Binding Site BS02

Receptor Information
>6s3a Chain A (length=209) Species: 12072 (Coxsackievirus B3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCRIEPVCLLLHGSPGAGKSVATNLIGRSLAEKLNSSVYSLPPFDGYKQQ
AVVIMDDLCQNPDGKDVSLFCQMVSSVDFVPPMAALEEKGILFTSPFVLA
STNAGSINAPTVSDSRALARRFHFDMNIEVISMYSQNGKINMPMSVKTCD
DECCPVNFKKCCPLVCGKAIQFIDRRTQVRYSLDMLVTEMFREYNHRHSV
GTTLEALFQ
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 chain6s3a Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6s3a Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		C269 C273 C281 C286
Binding residue
(residue number reindexed from 1)		C149 C153 C161 C166
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003724 RNA helicase activity
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:6s3a, PDBe:6s3a, PDBj:6s3a
PDBsum6s3a
PubMed34985963
UniProtP03313|POLG_CXB3N Genome polyprotein

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