Structure of PDB 4nru Chain C Binding Site BS02

Receptor Information
>4nru Chain C (length=478) Species: 223997 (Murine norovirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKDE
RVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQK
PWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMYE
MGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGPF
CDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQR
AILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSGC
PCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNLE
LDMVKYTMALRRYGLLPTRADKEEGPLERRQTLQGISFLRRAIVGDQFGW
YGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHGE
KYYRTVASRVSKEVVPRHRSVLRWVRFG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4nru Chain C Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nru Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D240 D344 E345 S389
Binding residue
(residue number reindexed from 1)		D238 D342 E343 S387
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.66: calicivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
GO:0004386 helicase activity
GO:0005524 ATP binding
Biological Process
GO:0006351 DNA-templated transcription
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:4nru, PDBe:4nru, PDBj:4nru
PDBsum4nru
PubMed24622391
UniProtQ80J95|POLG_MNV1 Genome polyprotein (Gene Name=ORF1)

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